Held from June 21 - 23, 2026, as a pre-conference workshop to the 19th European Powder Diffraction Conference (EPDIC19), this hands-on Workshop will teach you Modern Powder Diffraction Techniques using the TOPAS or TOPAS Academic software.

What you will learn:

• Operating TOPAS in both graphical user interface (GUI) and scripting (Launch) modes.
• Structure determination and refinement using global Rietveld refinement on Bragg and PDF data.
• Microstructural analysis using the Whole Powder Pattern Modelling (WPPM) method12:00 – 13:00

Program of the day

• 12:00 – 13:00  Registration  
• 13:00 – 13:15  Welcome  Arnt Kern, Bruker AXS, DE 
• 13:15 – 14:00  TOPAS V8  Alan Coelho, Coelho Software, AU 
• 14:00 – 17:30  Theory and Exercises: Basic functions in TOPAS Robert Dinnebier, MPI Stuttgart, DE 
• 17:30 – 18:00 TOPAS-Editor Tips and Tricks - Power Editing for Launch Mode  John Evans, University of Durham, UK
• 18:00 – 18:30  Handling lots of data John Evans, University of Durham, UK 

Held from June 21 - 23, 2026, as a pre-conference workshop to the 19th European Powder Diffraction Conference (EPDIC19), this hands-on Workshop will teach you Modern Powder Diffraction Techniques using the TOPAS or TOPAS Academic software.

What you will learn:

• Operating TOPAS in both graphical user interface (GUI) and scripting (Launch) modes.
• Structure determination and refinement using global Rietveld refinement on Bragg and PDF data.
• Microstructural analysis using the Whole Powder Pattern Modelling (WPPM) method

Program of the day

• 08:30 – 11:30 Theory and Exercises: Whole Powder Pattern Modeling (WPPM) Paolo Scardi, Uni Trento, IT 
• 11:30 – 12:00 New macros for peak profile modeling and diffuse scattering Marcelo Malagutti & Paolo Scardi, Uni Trento, IT 
• 12:00 – 13:00  Lunch break 
• 13:00 – 17:30 Theory and Exercises: Indexing, ab-initio structure determination and refinement Sebastian Bette, MPI Stuttgart, DE 
• 17:30 – 18:00  Symmetry-dependent directional equivalences for diffraction studies Tudor Muntean, Stony Brook University, USA & Peter Khalifah, Brookhaven National Laboratories, USA
• 18:00 – 18:30  Understanding shear defects in oxides Scott Misture, Alfred University, USA 

Held on June 22, 2026, as a pre-conference workshop to the 19th European Powder Diffraction Conference (EPDIC19), this full-day Workshop will teach you advanced powder X-ray diffraction (XRD) analysis using SmartLab Studio II software.

What you will learn:

• Hardware configuration and data collection optimization
• Qualitative phase identification
• Quantitative phase analysis (Rietveld and Direct-Derivation methods)
• Ab-initio structure determination from powder XRD data

Program of the day

• 09:00 – 09:30  Arrival & System Check

WLAN access verification, SmartLab Studio II license activation, Dataset download and workspace setup

• 09:30 – 09:45  Welcome & Workshop Overview 

Workshop objectives and structure, Overview of modern powder XRD workflows, Introduction to SmartLab Studio II

• 09:45 – 10:30  Hardware Configuration & Data Collection Optimization

SmartLab configurations for powder diffraction, Optics and alignment concepts, Influence of data quality on quantitative analysis

• 10:30 – 10:45  Coffee Break  
• 10:45 – 11:15  Qualitative Phase Identification 

Data import and preprocessing, Background treatment and peak detection, Efficient phase search/match strategies

• 11:15 – 12:15  Quantitative Phase Analysis: Rietveld Refinement 

Rietveld method fundamentals, Refinement strategy and parameter selection, Constraints, correlations, and convergence, Interpretation and reporting of results

• 12:15 – 13:00  Lunch
• 13:00 – 14:00  Quantitative Phase Analysis: Direct-Derivation Method

Principles of the Direct-Derivation approach, When and why to use the DD method, Comparison with Rietveld refinement, Quantification exercises using representative datasets

• 14:00 – 14:15  Coffee Break
• 14:15 – 15:45  Ab-initio Crystal Structure Determination from Powder XRD

Data requirements and preparation, Indexing and unit-cell determination, Space group determination, Structure solution and refinement workflow, Practical examples using SmartLab Studio I

• 15:45 – 16:00  Wrap-Up  

Common pitfalls and troubleshooting, Final discussion and Q&A

Held on June 23, 2026, as a pre-conference workshop to the 19th European Powder Diffraction Conference (EPDIC19), this workshop, sponsored by the International Centre for Diffraction Data, will cover both data mining using the ICDD PDF-5+ database and methods of analysis embodied in ICDD PDF-5+ Sieve+ and ICDD MDI JADEPro software. 

Key Topics:

• Factors affecting the quality of powder diffraction data
• Materials characterization using powder diffraction
• Powder Diffraction File database entries
• Data mining
• Qualitative and quantitative phase analysis
• Specialized tools

Program

• 8:30 – 9:00 Registration
• 9:00 – 9:15 Introduction
• 9:15 – 9:30 Factors Affecting Data Quality in Powder Diffraction Tom Blanton, ICDD, USA      
• 9:30 – 12:00  Data Mining and Sieve+ Using PDF-5+ Tom Blanton, ICDD, USA 
• 12:00 – 12:30 Lunch (provided for attendees)
• 12:30 – 15:00 JADE Pro : Basic Functions in JADE Pro. XRD Pattern Treatment, Phase Identification, Quantitative Analysis and Whole Pattern Fitting Batch Processing   Rongsheng Zhou (ICDD, USA)     

Held from June 21 - 23, 2026, as a pre-conference workshop to the 19th European Powder Diffraction Conference (EPDIC19), this hands-on Workshop will teach you Modern Powder Diffraction Techniques using the TOPAS or TOPAS Academic software.

What you will learn:

• Operating TOPAS in both graphical user interface (GUI) and scripting (Launch) modes.
• Structure determination and refinement using global Rietveld refinement on Bragg and PDF data.
• Microstructural analysis using the Whole Powder Pattern Modelling (WPPM) method12:00 – 13:00

Program of the day

• 08:30 – 12:00 Theory and Exercises: PDF analysis (WPPM) Maxwell Terban, Momentum Transfer, DE
• 12:00 – 13:00  Lunch break
• 13:00 – 13:20 hkl-based calculation of total scattering patterns from discrete and low-dimensional structure models using TOPAS Karsten Mesecke, Monash University, AU 
• 13:20 – 13:40  Understanding heterogeneous transformations in Li-S batteries through operando diffraction mapping Peter Khalifah, Brookhaven National Laboratories, US
• 13:40 – 14:00  Synthesis and characterization of novel Ni-Mg-coordination polymers within the framework of a high school research project  Sebastian Bette, MPI Stuttgart, DE
• 14:00 – 14:20 Using TOPAS to study the fast and high-temperature formation of rare-earth-free magnets Jesper Simonsen, Aarhus University, DK
• 14:20 – ... Wrap-Up

The EPDIC Award for Distinguished Powder Diffractionists was assigned for the first time during the EPDIC-11 Conference for outstanding results and/or continued, important contributions to the field of powder diffraction.

The EPDIC 19 Award is awarded to:

Robert Dinnebier (Max Planck Institute for Solid State Research, Stuttgart, Germany)
A life with/for powder diffraction

Chair : Paolo Scardi, (University of Trento) 

Speaker : Andrew Beale (University College London, UK)

The Application of X-ray Scattering Contrast Imaging Methods for the Characterisation of Catalytic Nanomaterials

Chair : Robert Cernik (Uni Manchester)

MS03

• MS03P01 L. Ding (Malvern Panalytical B. V., Netherlands) X-ray absorption spectroscopy applications on a versatile laboratory X-ray diffractometer
• MS03P02 J. Edelvang-Pejrup (University of Copenhagen, Denmark) Capturing High Entropy Oxide Formation: Insights from In Situ X-ray Scattering and Absorption
• MS03P03 A. Herlihy (Diamond Light Source Ltd., UK) Overcoming Challenges in High-Pressure Total Scattering: Radial Diffraction with Low-Z Metallic Glass Gaskets
• MS03P04 N. H. Richter (University of Copenhagen, Denmark) Disordered High-Entropy Transition-metal Hydroxides: Synthesis, Local Structure and OER Activity
• MS03P05 A. Shevchenko (Max Planck Institute for Solid State Research, Stuttgart, Germany) Local structure – bulk property relationship in the mineral Strätlingite
• MS03P06 Y. Shiramata (Shimane University, Japan and Rigaku corporation, Japan) Extending the Capabilities of Laboratory-Based PDF Measurements
• MS03P07 R. S. Silberg (University of Copenhagen, Denmark) Exploring Signatures of Ions in Solution with Pair Distribution Function
• MS03P08 A. Simonov (ETH Zürich, Swizerland and Aarhus University, Denmark) Fast simulation of disordered crystals using Gaussian copulas
• MS03P09 C. A. Triana (University of Zürich, Switzerland) Structure Selection Dynamics of Cobalt Nanoparticles from Solution Synthesis
• MS03P10 B. Völker (Anton Paar GmbH, Graz, Austria) Advancing PDF Analysis: Fast and High-Quality Local Structure Insights with XRDynamic 500
• MS03P11 M. T. Wharmby (Bruker AXS SE, Karlsruhe Germany) MOF Glasses for Gas Separation: Structural Information from Laboratory Pair Distribution Function Analysis
• MS03P12 F. Z.T. Yang (University of Oxford, UK) Earth Abundant Mixed Metal Oxide Catalysts for Polyolefin Upcycling
• MS03P13 L. Yang (Tongji University, Shanghai, China) 3D probing of hidden nanoscale states in functional materials
  

MS04

• MS04P01 H. L. Andersen (CSIC, Madrid , Spain) Structural disorder and lithium diffusion pathways in lithium halide solid electrolytes
• MS04P02 R. Caradeuc (University of Edinburgh, UK)  Crystallographic insights into the solid-solid phase change of pentaglycerine
• MS04P03 J. Doody (University of Birmingham, UK)  Probing structural changes in the lithium imide system through anion doping
• MS04P04 E. Elvelo (Stockholm University, Sweden and Imperial Collage of London, UK) Pressure response of Prussian white - multidimensional phase diagram of an important cathode material 
• MS04P05 A. Hasil (LGF, Saint-Étienne, France) In-situ X-ray Diffraction of Inorganic Salt Hydrates for Thermal Energy Storage
• MS04P06 K. Emmerson (University of Edinburgh, Edinburgh, UK)  Investigating the Dehydration Mechanism of Disodium Hydrogen Phosphate Dodecahydrate for Thermal Management in Lithium-Ion Batteries
• MS04P07 M. Johansen (Aarhus University, Denmark and DESY, Hamburg, Germany)  Iron Migration and Oxygen Redox in Layered O3 type NaxFeyMn1- yO2 Cathodes for Na-ion Batteries
• MS04P08 A. Kirsch (Ruhr University Bochum, Germany and RC FEMS, Germany and University of Copenhagen, Denmark) Reversible Oxygen Exchange and Composition-Structure Relationships in High-Entropy Perovskites
• MS04P09 T. T. Lindsay (University of Aberdeen, Aberdeen, UK) The Versatility of Palmierite-Like Structural Features in Oxide Ion Conductors
• MS04P10 Y. Lu (University of Edinburgh, UK) X-Ray Diffraction Guided Optimisation of Mechanochemical Synthesis for Energy Storage Materials 
• MS04P11 W. Maiaugree (Thammasat University, Pathum Thani, Thailand)  Sustainable 3D Network Counter Electrodes Based on Peanut Shell–Derived rGO/NiS for Dye-Sensitized Solar Cells
• MS04P12 R. Matyšek (Maastricht University, the Netherlands)  Beyond entropy: diffraction insights into oxygen mobility in doped BaInO2.5-derived perovskites
• MS04P13 P. Mendelyte (University of Edinburgh, UK)  Investigating the order-disorder phase transitions in solid-solid phase-change materials for latent heat storage applications
• MS04P14 S. Misture (Alfred University, USA)  Controlling Disorder and Lithiation in Wadsley-Roth Shear Phases
• MS04P15 G. Nénert (Malvern Panalytical B.V., Almelo, Netherlands) Structure determination of new ionic conductors from complex mixtures
• MS04P16 J. Popović (Ruđer Bošković Institute, Zagreb, Croatia) Thermally and Mechanochemically Induced Structural Changes in Graphite and Their Impact on Electrochemical Behaviour
• MS04P17 A. Safdar (University of Aberdeen, UK)   YBi2O3.5+δSe1-xClx: A family of semiconductors with a charge- and defect-tunable triple fluorite layer
• MS04P18 G. Tedde (ESRF, Grenoble, France) In situ study of the carbon dioxide reforming of methane reaction using ZSM-5 zeolite as catalyst
• MS04P19 S. Y. Thompson (Aarhus University, Denmark) Exploring the composition space of disordered rocksalt battery cathode materials

MS05

• MS05P01 M. Beretta (University of Turin, Italy) In-situ synchrotron high resolution powder diffraction: the mullite formation and the role of quartz grain size in traditional ceramic
• MS05P02 A. Bernasconi (University of Turin, Italy) Ca-bearing secondary raw materials in traditional ceramics: XRD to tackle technological properties 
• MS05P03 P. Bezdička (Institute of Inorganic Chemistry of the Czech Academy of Sciences, Husinec-Řež, Czech Republic)  Determination of the content of the glass phase in silica refractories  
• MS05P04 W. Boyer (Proto Manufacturing Inc., USA) Accurate Lattice Parameter Measurements in a Welded Steel T-Sample
• MS05P05 F. Costa (University of Leeds,UK) Containerless PDF of Low-Density Materials Enabled by Acoustic Levitation
• MS05P06  L. C. Folkers-Karlsson (STOE & Cie GmbH, Darmstadt, Germany) Next-Generation Beam Alignment in the STADI P: Automated Optimization with ADAMAnT 
• MS05P07 H Gildenast (DECTRIS Ltd., Switzerland)  Fluorescence Suppression with POLLUX – A Hybrid Photon Counting Detector for X-ray Powder Diffraction 
• MS05P08 K. Mesecke (Monash University, Australia)  hkl-based calculation of total scattering patterns from discrete structure models using TOPAS 
• MS05P09 P. Rzepka (Czech Academy of Sciences, Prague, Czech Republic)  Pinpointing Aluminum Substructure in Zeolites by X-ray Anomalous (Resonant) Diffraction
• MS05P10 M. Turcato (University of Turin, Italy)  Quantitative Phase Analysis of Natural Pozzolans via Rietveld Refinement: Determining Crystalline and Amorphous Content for the Application as SCM  

MS06

• MS06P01 B. Antić (University of Belgrade, Serbia) Time-controlled synthesis of multicore maghemite nanoflowers: structure, defects and surface chemistry optimized for reactive interfaces
• MS06P02 A.-C. Dippel (DESY, Hamburg, Germany)  PDF across-the-board in science - the x-ray total scattering portfolio at P07-DESY and P21.1 at PETRA III
• MS06P03 B. Dojčinović (University of Belgrade, Serbia) Structure-Texture-DFT Correlation in Defect-Rich UiO-66-NH2 
• MS06P04 R. Kužel (Charles University, Praha, Czech Republic) Hexaferrite thin films grown by chemical solution deposition on differently oriented sapphire substrates
• MS06P05 V. Strotkötter (Ruhr University Bochum, Germany)  High-throughput structural investigation of Cu content-dependent second phase formation in compositionally complex spinel oxide thin film materials libraries
• MS06P06 S. Švarcová (Czech Academy of Sciences, Husinec-Řež, Czech Republic)  Acceleration of LC3 cement hydration by nanosilica and quartz

MS07

• MS07P01 M. Lampropoulou (University of Patras, Patras, Greece) Seeding-Driven Crystallization and Structural Investigation of the Coxsackievirus B3 3C Protease 
• MS07P02 M. U. Piepenbring (Goethe Universität Frankfurt, Germany) On the power of laboratory powder data: anisotropic refinement of C and isotropic refinement of H atoms 
• MS07P03 N. Tokumasu (Rigaku Corporation, Japan) Investigation of an X-ray Diffraction–Based Approach for Evaluating Crystal Habit

MS09

• MS09P01 M. Arhangelskis (University of Warsaw, Poland) Determination of highly-complex structures of zeolitic imidazolate frameworks through a combination of powder diffraction structure solution and periodic DFT calculations
• MS09P02 A. Armanious (ETH Zürich, Switzerland) Microscopic Origins of Surface Loss in Ultra-Thin Silicon Nitride Quantum Membranes: A Multi Technique Structural and Chemical Profiling Approach
• MS09P03 M. He (ESRF, France and University of Manchester, UK) Shaping the Morphology of Metal-Organic Frameworks for Gas Separation via Mixed Matrix Membranes
• MS09P04 A. Kossoy (Weizmann Institute of Science, Israel) A curious case of dolomite – insight on the origin of dolomitization in ancient plaster
• MS09P05 C. Montembault (ESRF, France and University Grenoble-Alpes, France) Degradation process of ancient egyptian pigments
• MS09P06 D. Piankova(ETH Zürich, Switzerland) Deciphering atomic and nanoscale dynamics of CaO under CO2 capture by combining in situ SAXS/WAXS and environmental STEM

MS10

• MS10P01 M. Afqir (Cadi Ayyad University, Marrakesh, Morocco) Granule size dependent sinterability of SrBi2Nb2O9 Aurivillius ceramics
• MS10P02 I. Bobrikov (Basque Research and Technology Alliance, Vitoria-Gasteiz, Spain) Pielaszek method for fast estimation of crystallite size distributions in functional materials
• MS10P03 C. Dejoie (ESRF, Grenoble, France) Insights into the organization of cellulose in ancient Egyptian papyrus
• MS10P04 M. A. Kojdecki (Military University of Technology, Warsaw, Poland) Simulated X-ray diffractograms for analysis of crystalline microstructure
• MS10P05 B.S. Newell (Idaho National Laboratory, USA) Diffraction-Based Quantification of Plasma-Induced Microstructural Evolution in Tungsten 
• MS10P06 D. Paulus (University of Bayreuth, Germany) X-ray diffraction reveals a new deposition mechanism for Powder Aerosol Deposition of films derived from layered crystalline materials

Co-Chairs : Paula Abdala, Federica Bertolotti

Understanding the structure of materials at different length scales is fundamental to elucidating their properties, functions, and formation mechanisms. This microsymposium will focus on advanced methodologies that employ total scattering and/or X-ray absorption spectroscopy (XAS) to investigate short-range order in materials. Particular emphasis will be placed on studies that demonstrate how these techniques allow the retrieval of precise atomic-scale details, especially in systems where conventional crystallographic approaches are insufficient. These include nanocrystals, bulk materials exhibiting local deviations from the average structure, and complex materials for which elemental speciation should be untangled. 

10:00-10:30 G. F. Mancini (University of Pavia, Italy) Quantifying photoinduced polaronic distortions in transition metal oxides and halide perovskites with ultrafast X-ray and state-selective spectroscopy methods

10:30-11:00 S. Checchia (ESRF, France) The dynamic behaviour of Pt-group metal nanoparticles during liquid- and gas-phase catalysis

11:00-11:20 G. Dal Sasso (National Research Council of Italy, Padova, Italy) Structural and microstructural characterization of Pt/C catalyst through X-ray total scattering methods

11:20-11:40  T. Schertenleib (University of Copenhagen, Denmark) Anomalous Total Scattering: Deconstructing Pair Distribution Functions

11:40-12:00 K. Yusenko (Ruhr-University Bochum, Germany) Local Structure of High-Entropy Alloys: EXAFS vs. XRD analysis
 

Co-Chairs : Sebastian Bette, Milan Dopita

This symposium serves as a forum for discussing current developments in microstructure characterization of materials. Both methodological and materials-focused contributions are welcome. Microstructure (or real structure) refers to any deviation from an ideal infinite, periodic crystal, including lattice defects,  induced local deformation and stress, coherent domain size, preferred orientation of crystallites - texture, macro-stress, and related features. All types of inorganic and organic bulk and powder materials, thin films, and interfaces are appropriate topics. Relevant analytical approaches include diffraction line profile analysis, single-crystal-like diffraction analysis of a multi-grain sample, imaging techniques etc.

10:00-10:30 D. Rafaja  (Technische Universität Bergakademie Freiberg, Germany) Mechanisms of plastic deformation in multiphase steels revealed using in situ high-energy synchrotron diffraction

10:30-11:00 M. Meindlhumer (Montanuniversität Leoben, Austria) 80 nm-resolved in situ X-ray nanodiffraction reveals multiaxial stress-strain transfer at the indenter-thin film interface

11:00-11:20 M. Malagutti  (University of Trento, Italy) Thermal diffuse scattering from nanocrystalline systems

11:20-11:40 M. Christensen (Aarhus University, Denmark and Aalborg University, Denmark) Nuclear and Magnetic Texture in SrFe12O19 Using Combined 2D Neutron and X-ray Diffraction

11:40-12:00 M. Zielinski (NOMATEN Centre for Excellence, Otwock‑Swierk, Poland) High sensitivity to microstructure variations at different depths in thin surface layers
 

G. F. Mancini (University of Pavia, Italy) 

Quantifying photoinduced polaronic distortions in transition metal oxides and halide perovskites with ultrafast X-ray and state-selective spectroscopy methods

 D. Rafaja  (Technische Universität Bergakademie Freiberg, Germany) 

Mechanisms of plastic deformation in multiphase steels revealed using in situ high-energy synchrotron diffraction 

S. Checchia (ESRF, France)  

The dynamic behaviour of Pt-group metal nanoparticles during liquid- and gas-phase catalysis 

M. Meindlhumer (Montanuniversität Leoben, Austria)

80 nm-resolved in situ X-ray nanodiffraction reveals multiaxial stress-strain transfer at the indenter-thin film interface 

 G. Dal Sasso (National Research Council of Italy, Padova, Italy)

 Structural and microstructural characterization of Pt/C catalyst through X-ray total scattering methods 
 

  M. Malagutti  (University of Trento, Italy) 

Thermal diffuse scattering from nanocrystalline systems

 T. Schertenleib (University of Copenhagen, Denmark)

Anomalous Total Scattering: Deconstructing Pair Distribution Functions

 M. Christensen (Aarhus University, Denmark and Aalborg University, Denmark)

Nuclear and Magnetic Texture in SrFe12O19 Using Combined 2D Neutron and X-ray Diffraction

 K. Yusenko (Ruhr-University Bochum, Germany)

Local Structure of High-Entropy Alloys: EXAFS vs. XRD analysis
 

 M. Zielinski (NOMATEN Centre for Excellence, Otwock‑Swierk, Poland)

High sensitivity to microstructure variations at different depths in thin surface layers

MS03

• MS03P01 L. Ding (Malvern Panalytical B. V., Netherlands) X-ray absorption spectroscopy applications on a versatile laboratory X-ray diffractometer
• MS03P02 J. Edelvang-Pejrup (University of Copenhagen, Denmark) Capturing High Entropy Oxide Formation: Insights from In Situ X-ray Scattering and Absorption
• MS03P03 A. Herlihy (Diamond Light Source Ltd., UK) Overcoming Challenges in High-Pressure Total Scattering: Radial Diffraction with Low-Z Metallic Glass Gaskets
• MS03P04 N. H. Richter (University of Copenhagen, Denmark) Disordered High-Entropy Transition-metal Hydroxides: Synthesis, Local Structure and OER Activity
• MS03P05 A. Shevchenko (Max Planck Institute for Solid State Research, Stuttgart, Germany) Local structure – bulk property relationship in the mineral Strätlingite
• MS03P06 Y. Shiramata (Shimane University, Japan and Rigaku corporation, Japan) Extending the Capabilities of Laboratory-Based PDF Measurements
• MS03P07 R. S. Silberg (University of Copenhagen, Denmark) Exploring Signatures of Ions in Solution with Pair Distribution Function
• MS03P08 A. Simonov (ETH Zürich, Swizerland and Aarhus University, Denmark) Fast simulation of disordered crystals using Gaussian copulas
• MS03P09 C. A. Triana (University of Zürich, Switzerland) Structure Selection Dynamics of Cobalt Nanoparticles from Solution Synthesis
• MS03P10 B. Völker (Anton Paar GmbH, Graz, Austria) Advancing PDF Analysis: Fast and High-Quality Local Structure Insights with XRDynamic 500
• MS03P11 M. T. Wharmby (Bruker AXS SE, Karlsruhe Germany) MOF Glasses for Gas Separation: Structural Information from Laboratory Pair Distribution Function Analysis
• MS03P12 F. Z.T. Yang (University of Oxford, UK) Earth Abundant Mixed Metal Oxide Catalysts for Polyolefin Upcycling
• MS03P13 L. Yang (Tongji University, Shanghai, China) 3D probing of hidden nanoscale states in functional materials
  

MS04

• MS04P01 H. L. Andersen (CSIC, Madrid , Spain) Structural disorder and lithium diffusion pathways in lithium halide solid electrolytes
• MS04P02 R. Caradeuc (University of Edinburgh, UK)  Crystallographic insights into the solid-solid phase change of pentaglycerine
• MS04P03 J. Doody (University of Birmingham, UK)  Probing structural changes in the lithium imide system through anion doping
• MS04P04 E. Elvelo (Stockholm University, Sweden and Imperial Collage of London, UK) Pressure response of Prussian white - multidimensional phase diagram of an important cathode material 
• MS04P05 A. Hasil (LGF, Saint-Étienne, France) In-situ X-ray Diffraction of Inorganic Salt Hydrates for Thermal Energy Storage
• MS04P06 K. Emmerson (University of Edinburgh, Edinburgh, UK)  Investigating the Dehydration Mechanism of Disodium Hydrogen Phosphate Dodecahydrate for Thermal Management in Lithium-Ion Batteries
• MS04P07 M. Johansen (Aarhus University, Denmark and DESY, Hamburg, Germany)  Iron Migration and Oxygen Redox in Layered O3 type NaxFeyMn1- yO2 Cathodes for Na-ion Batteries
• MS04P08 A. Kirsch (Ruhr University Bochum, Germany and RC FEMS, Germany and University of Copenhagen, Denmark) Reversible Oxygen Exchange and Composition-Structure Relationships in High-Entropy Perovskites
• MS04P09 T. T. Lindsay (University of Aberdeen, Aberdeen, UK) The Versatility of Palmierite-Like Structural Features in Oxide Ion Conductors
• MS04P10 Y. Lu (University of Edinburgh, UK) X-Ray Diffraction Guided Optimisation of Mechanochemical Synthesis for Energy Storage Materials 
• MS04P11 W. Maiaugree (Thammasat University, Pathum Thani, Thailand)  Sustainable 3D Network Counter Electrodes Based on Peanut Shell–Derived rGO/NiS for Dye-Sensitized Solar Cells
• MS04P12 R. Matyšek (Maastricht University, the Netherlands)  Beyond entropy: diffraction insights into oxygen mobility in doped BaInO2.5-derived perovskites
• MS04P13 P. Mendelyte (University of Edinburgh, UK)  Investigating the order-disorder phase transitions in solid-solid phase-change materials for latent heat storage applications
• MS04P14 S. Misture (Alfred University, USA)  Controlling Disorder and Lithiation in Wadsley-Roth Shear Phases
• MS04P15 G. Nénert (Malvern Panalytical B.V., Almelo, Netherlands) Structure determination of new ionic conductors from complex mixtures
• MS04P16 J. Popović (Ruđer Bošković Institute, Zagreb, Croatia) Thermally and Mechanochemically Induced Structural Changes in Graphite and Their Impact on Electrochemical Behaviour
• MS04P17 A. Safdar (University of Aberdeen, UK)   YBi2O3.5+δSe1-xClx: A family of semiconductors with a charge- and defect-tunable triple fluorite layer
• MS04P18 G. Tedde (ESRF, Grenoble, France) In situ study of the carbon dioxide reforming of methane reaction using ZSM-5 zeolite as catalyst
• MS04P19 S. Y. Thompson (Aarhus University, Denmark) Exploring the composition space of disordered rocksalt battery cathode materials

MS05

• MS05P01 M. Beretta (University of Turin, Italy) In-situ synchrotron high resolution powder diffraction: the mullite formation and the role of quartz grain size in traditional ceramic
• MS05P02 A. Bernasconi (University of Turin, Italy) Ca-bearing secondary raw materials in traditional ceramics: XRD to tackle technological properties 
• MS05P03 P. Bezdička (Institute of Inorganic Chemistry of the Czech Academy of Sciences, Husinec-Řež, Czech Republic)  Determination of the content of the glass phase in silica refractories  
• MS05P04 W. Boyer (Proto Manufacturing Inc., USA) Accurate Lattice Parameter Measurements in a Welded Steel T-Sample
• MS05P05 F. Costa (University of Leeds,UK) Containerless PDF of Low-Density Materials Enabled by Acoustic Levitation
• MS05P06  L. C. Folkers-Karlsson (STOE & Cie GmbH, Darmstadt, Germany) Next-Generation Beam Alignment in the STADI P: Automated Optimization with ADAMAnT 
• MS05P07 H Gildenast (DECTRIS Ltd., Switzerland)  Fluorescence Suppression with POLLUX – A Hybrid Photon Counting Detector for X-ray Powder Diffraction 
• MS05P08 K. Mesecke (Monash University, Australia)  hkl-based calculation of total scattering patterns from discrete structure models using TOPAS 
• MS05P09 P. Rzepka (Czech Academy of Sciences, Prague, Czech Republic)  Pinpointing Aluminum Substructure in Zeolites by X-ray Anomalous (Resonant) Diffraction
• MS05P10 M. Turcato (University of Turin, Italy)  Quantitative Phase Analysis of Natural Pozzolans via Rietveld Refinement: Determining Crystalline and Amorphous Content for the Application as SCM  

MS06

• MS06P01 B. Antić (University of Belgrade, Serbia) Time-controlled synthesis of multicore maghemite nanoflowers: structure, defects and surface chemistry optimized for reactive interfaces
• MS06P02 A.-C. Dippel (DESY, Hamburg, Germany)  PDF across-the-board in science - the x-ray total scattering portfolio at P07-DESY and P21.1 at PETRA III
• MS06P03 B. Dojčinović (University of Belgrade, Serbia) Structure-Texture-DFT Correlation in Defect-Rich UiO-66-NH2 
• MS06P04 R. Kužel (Charles University, Praha, Czech Republic) Hexaferrite thin films grown by chemical solution deposition on differently oriented sapphire substrates
• MS06P05 V. Strotkötter (Ruhr University Bochum, Germany)  High-throughput structural investigation of Cu content-dependent second phase formation in compositionally complex spinel oxide thin film materials libraries
• MS06P06 S. Švarcová (Czech Academy of Sciences, Husinec-Řež, Czech Republic)  Acceleration of LC3 cement hydration by nanosilica and quartz

MS07

• MS07P01 M. Lampropoulou (University of Patras, Patras, Greece) Seeding-Driven Crystallization and Structural Investigation of the Coxsackievirus B3 3C Protease 
• MS07P02 M. U. Piepenbring (Goethe Universität Frankfurt, Germany) On the power of laboratory powder data: anisotropic refinement of C and isotropic refinement of H atoms 
• MS07P03 N. Tokumasu (Rigaku Corporation, Japan) Investigation of an X-ray Diffraction–Based Approach for Evaluating Crystal Habit

MS09

• MS09P01 M. Arhangelskis (University of Warsaw, Poland) Determination of highly-complex structures of zeolitic imidazolate frameworks through a combination of powder diffraction structure solution and periodic DFT calculations
• MS09P02 A. Armanious (ETH Zürich, Switzerland) Microscopic Origins of Surface Loss in Ultra-Thin Silicon Nitride Quantum Membranes: A Multi Technique Structural and Chemical Profiling Approach
• MS09P03 M. He (ESRF, France and University of Manchester, UK) Shaping the Morphology of Metal-Organic Frameworks for Gas Separation via Mixed Matrix Membranes
• MS09P04 A. Kossoy (Weizmann Institute of Science, Israel) A curious case of dolomite – insight on the origin of dolomitization in ancient plaster
• MS09P05 C. Montembault (ESRF, France and University Grenoble-Alpes, France) Degradation process of ancient egyptian pigments
• MS09P06 D. Piankova(ETH Zürich, Switzerland) Deciphering atomic and nanoscale dynamics of CaO under CO2 capture by combining in situ SAXS/WAXS and environmental STEM

MS10

• MS10P01 M. Afqir (Cadi Ayyad University, Marrakesh, Morocco) Granule size dependent sinterability of SrBi2Nb2O9 Aurivillius ceramics
• MS10P02 I. Bobrikov (Basque Research and Technology Alliance, Vitoria-Gasteiz, Spain) Pielaszek method for fast estimation of crystallite size distributions in functional materials
• MS10P03 C. Dejoie (ESRF, Grenoble, France) Insights into the organization of cellulose in ancient Egyptian papyrus
• MS10P04 M. A. Kojdecki (Military University of Technology, Warsaw, Poland) Simulated X-ray diffractograms for analysis of crystalline microstructure
• MS10P05 B.S. Newell (Idaho National Laboratory, USA) Diffraction-Based Quantification of Plasma-Induced Microstructural Evolution in Tungsten 
• MS10P06 D. Paulus (University of Bayreuth, Germany) X-ray diffraction reveals a new deposition mechanism for Powder Aerosol Deposition of films derived from layered crystalline materials

Diffraction Without Limits

High-energy X-ray diffraction (XRD) is an increasingly important approach for addressing structural questions that remain inaccessible to conventional laboratory-based techniques. The use of short-wavelength radiation (e.g. Mo or Ag) enables enhanced penetration depth, access to extended reciprocal space, and improved real-space resolution, thereby increasing sensitivity to subtle structural features and complex materials systems. 

In this luncheon seminar, we will present recent developments in laboratory-based high-energy XRD and discuss their impact on advanced materials research. Particular emphasis will be placed on the combination of high-energy radiation with modern detector technologies and flexible experimental configurations, enabling non-destructive investigations of samples in complex environments and under realistic conditions. 

Selected examples will illustrate applications such as total scattering and pair distribution function (PDF) analysis, as well as studies of functional materials under operando conditions. These case studies highlight how high-energy XRD expands the accessible length scales and experimental possibilities in the laboratory, bridging the gap between conventional XRD and large-scale facility techniques.

Co-Chairs : Ann-Christin Dippel, Jonathan de Roo

Nanoparticles or nanometric thin films host interesting properties that arise from surface effects or confinement. The characterisation of such systems requires very specific analytical tools and methodologies. This symposium is dedicated to the X-ray scattering techniques employed to study the structure at the nanoscale, and the properties of such systems, including small-angle, wide-angle, grazing angle and total scattering studies. Contributions may discuss methodological approaches, or case studies where these tools are employed to solve the nanostructure or to obtain mechanistic insight in the formation of the nanostructures.

13:30-14:00: B. Iversen ( Aarhus University, Denmark ) Accelerated materials discovery through in situ X-ray diffraction 

14:00-14:30 K. Stone (SLAC National Accelerator Laboratory, USA) Scattering as a Means to Isolate Sample Components: GIPDF and Resonant Scattering

14:30-14:45 G. Strapasson (Brazilian Synchrotron Light Laboratory, Brazil) Modulation of exsolution dynamics through composition control of high-entropy spinel oxides

14:45-15:00 S. Mangelsen (Kiel University, Germany) M(C₂O₄)∙2H₂O (M = Mg, Fe, Co) – Chained to Stacking Faults

15:00-15:15  M. Janák (ETH Zürich, Switzerland) Mechanistic insight into Pt exsolution from a defective fluorite Sm₂Pt₀.₁Ce₁.₉O₇ solid solution

15:15-15:30 T. Nielsen (University of Copenhagen, Denmark) Whole-nanoparticle-ensemble refinements of compositionally complex systems from X-ray pair distribution function data via the Reverse Monte Carlo method

 B. Iversen ( Aarhus University, Denmark )

Accelerated materials discovery through in situ X-ray diffraction 

Co-Chairs : Phoebe Allan, David Wragg

The symposium will focus on advancements in the development and understanding of materials for energy storage and conversion using powder diffraction. The contribution of powder diffraction methods should be at the centre of the submitted abstracts. The symposium will cover both material-specific cases and novel methodological developments. Abstracts on all types of energy storage or conversion are welcome.

13:30-14:00 D. B. Ravnsbæk (Aarhus University, Denmark) Out of order – Unravelling structural disorder in intercalation battery electrodes

14:00-14:30 J-N. Chotard ( University of Picardy Jules Verne, France) “Crystallo-Chemistry”: A wonderful tool to study Energy Related Materials

14:30-14:50  P. Khalifah ( Brookhaven National Laboratory and Stony Brook University, USA) Understanding heterogeneous transformations in Li-S batteries through operando diffraction mapping

14:50-15:10 E. Alves Santos (CINE,CNPEM,LNLS, Sao Paulo, Brazil) Operando XRD and TXM-XANES Reveal Dynamic Cation Disorder in Co-Mn-Al Spinel as the Key Mechanism for High-Performance Li-S Batteries

15:10-15:30 N. Schlegel (University of Copenhagen, Denmark) Structural Changes in Pt₅MnFeCoNiCu Solid Solutions and Intermetallics during Electrochemical Oxygen Reduction
 

D. B. Ravnsbæk (Aarhus University, Denmark) 

Out of order – Unravelling structural disorder in intercalation battery electrodes

K. Stone (SLAC National Accelerator Laboratory, USA)

Scattering as a Means to Isolate Sample Components: GIPDF and Resonant Scattering

 J-N. Chotard ( University of Picardy Jules Verne, France) 

“Crystallo-Chemistry”: A wonderful tool to study Energy Related Materials

 G. Strapasson (Brazilian Synchrotron Light Laboratory, Brazil)

Modulation of exsolution dynamics through composition control of high-entropy spinel oxides

 P. Khalifah ( Brookhaven National Laboratory and Stony Brook University, USA)

Understanding heterogeneous transformations in Li-S batteries through operando diffraction mapping

S. Mangelsen (Kiel University, Germany)

M(C2O4)∙2H2O (M = Mg, Fe, Co) – Chained to Stacking Faults

E. Alves Santos (CINE,CNPEM,LNLS, Sao Paulo, Brazil) 

Operando XRD and TXM-XANES Reveal Dynamic Cation Disorder in Co-Mn-Al Spinel as the Key Mechanism for High-Performance Li-S Batteries

 M. Janák (ETH Zürich)

Mechanistic insight into Pt exsolution from a defective fluorite Sm2Pt0.1Ce1.9O7 solid solution

 N. Schlegel (University of Copenhagen, Denmark)

Structural Changes in Pt5MnFeCoNiCu Solid Solutions and Intermetallics during Electrochemical Oxygen Reduction
 

T. Nielsen (DTU, Denmark)

Whole-nanoparticle-ensemble refinements of compositionally complex systems from X-ray pair distribution function data via the Reverse Monte Carlo method

MS03

• MS03P01 L. Ding (Malvern Panalytical B. V., Netherlands) X-ray absorption spectroscopy applications on a versatile laboratory X-ray diffractometer
• MS03P02 J. Edelvang-Pejrup (University of Copenhagen, Denmark) Capturing High Entropy Oxide Formation: Insights from In Situ X-ray Scattering and Absorption
• MS03P03 A. Herlihy (Diamond Light Source Ltd., UK) Overcoming Challenges in High-Pressure Total Scattering: Radial Diffraction with Low-Z Metallic Glass Gaskets
• MS03P04 N. H. Richter (University of Copenhagen, Denmark) Disordered High-Entropy Transition-metal Hydroxides: Synthesis, Local Structure and OER Activity
• MS03P05 A. Shevchenko (Max Planck Institute for Solid State Research, Stuttgart, Germany) Local structure – bulk property relationship in the mineral Strätlingite
• MS03P06 Y. Shiramata (Shimane University, Japan and Rigaku corporation, Japan) Extending the Capabilities of Laboratory-Based PDF Measurements
• MS03P07 R. S. Silberg (University of Copenhagen, Denmark) Exploring Signatures of Ions in Solution with Pair Distribution Function
• MS03P08 A. Simonov (ETH Zürich, Swizerland and Aarhus University, Denmark) Fast simulation of disordered crystals using Gaussian copulas
• MS03P09 C. A. Triana (University of Zürich, Switzerland) Structure Selection Dynamics of Cobalt Nanoparticles from Solution Synthesis
• MS03P10 B. Völker (Anton Paar GmbH, Graz, Austria) Advancing PDF Analysis: Fast and High-Quality Local Structure Insights with XRDynamic 500
• MS03P11 M. T. Wharmby (Bruker AXS SE, Karlsruhe Germany) MOF Glasses for Gas Separation: Structural Information from Laboratory Pair Distribution Function Analysis
• MS03P12 F. Z.T. Yang (University of Oxford, UK) Earth Abundant Mixed Metal Oxide Catalysts for Polyolefin Upcycling
• MS03P13 L. Yang (Tongji University, Shanghai, China) 3D probing of hidden nanoscale states in functional materials
  

MS04

• MS04P01 H. L. Andersen (CSIC, Madrid , Spain) Structural disorder and lithium diffusion pathways in lithium halide solid electrolytes
• MS04P02 R. Caradeuc (University of Edinburgh, UK)  Crystallographic insights into the solid-solid phase change of pentaglycerine
• MS04P03 J. Doody (University of Birmingham, UK)  Probing structural changes in the lithium imide system through anion doping
• MS04P04 E. Elvelo (Stockholm University, Sweden and Imperial Collage of London, UK) Pressure response of Prussian white - multidimensional phase diagram of an important cathode material 
• MS04P05 A. Hasil (LGF, Saint-Étienne, France) In-situ X-ray Diffraction of Inorganic Salt Hydrates for Thermal Energy Storage
• MS04P06 K. Emmerson (University of Edinburgh, Edinburgh, UK)  Investigating the Dehydration Mechanism of Disodium Hydrogen Phosphate Dodecahydrate for Thermal Management in Lithium-Ion Batteries
• MS04P07 M. Johansen (Aarhus University, Denmark and DESY, Hamburg, Germany)  Iron Migration and Oxygen Redox in Layered O3 type NaxFeyMn1- yO2 Cathodes for Na-ion Batteries
• MS04P08 A. Kirsch (Ruhr University Bochum, Germany and RC FEMS, Germany and University of Copenhagen, Denmark) Reversible Oxygen Exchange and Composition-Structure Relationships in High-Entropy Perovskites
• MS04P09 T. T. Lindsay (University of Aberdeen, Aberdeen, UK) The Versatility of Palmierite-Like Structural Features in Oxide Ion Conductors
• MS04P10 Y. Lu (University of Edinburgh, UK) X-Ray Diffraction Guided Optimisation of Mechanochemical Synthesis for Energy Storage Materials 
• MS04P11 W. Maiaugree (Thammasat University, Pathum Thani, Thailand)  Sustainable 3D Network Counter Electrodes Based on Peanut Shell–Derived rGO/NiS for Dye-Sensitized Solar Cells
• MS04P12 R. Matyšek (Maastricht University, the Netherlands)  Beyond entropy: diffraction insights into oxygen mobility in doped BaInO2.5-derived perovskites
• MS04P13 P. Mendelyte (University of Edinburgh, UK)  Investigating the order-disorder phase transitions in solid-solid phase-change materials for latent heat storage applications
• MS04P14 S. Misture (Alfred University, USA)  Controlling Disorder and Lithiation in Wadsley-Roth Shear Phases
• MS04P15 G. Nénert (Malvern Panalytical B.V., Almelo, Netherlands) Structure determination of new ionic conductors from complex mixtures
• MS04P16 J. Popović (Ruđer Bošković Institute, Zagreb, Croatia) Thermally and Mechanochemically Induced Structural Changes in Graphite and Their Impact on Electrochemical Behaviour
• MS04P17 A. Safdar (University of Aberdeen, UK)   YBi2O3.5+δSe1-xClx: A family of semiconductors with a charge- and defect-tunable triple fluorite layer
• MS04P18 G. Tedde (ESRF, Grenoble, France) In situ study of the carbon dioxide reforming of methane reaction using ZSM-5 zeolite as catalyst
• MS04P19 S. Y. Thompson (Aarhus University, Denmark) Exploring the composition space of disordered rocksalt battery cathode materials

MS05

• MS05P01 M. Beretta (University of Turin, Italy) In-situ synchrotron high resolution powder diffraction: the mullite formation and the role of quartz grain size in traditional ceramic
• MS05P02 A. Bernasconi (University of Turin, Italy) Ca-bearing secondary raw materials in traditional ceramics: XRD to tackle technological properties 
• MS05P03 P. Bezdička (Institute of Inorganic Chemistry of the Czech Academy of Sciences, Husinec-Řež, Czech Republic)  Determination of the content of the glass phase in silica refractories  
• MS05P04 W. Boyer (Proto Manufacturing Inc., USA) Accurate Lattice Parameter Measurements in a Welded Steel T-Sample
• MS05P05 F. Costa (University of Leeds,UK) Containerless PDF of Low-Density Materials Enabled by Acoustic Levitation
• MS05P06  L. C. Folkers-Karlsson (STOE & Cie GmbH, Darmstadt, Germany) Next-Generation Beam Alignment in the STADI P: Automated Optimization with ADAMAnT 
• MS05P07 H Gildenast (DECTRIS Ltd., Switzerland)  Fluorescence Suppression with POLLUX – A Hybrid Photon Counting Detector for X-ray Powder Diffraction 
• MS05P08 K. Mesecke (Monash University, Australia)  hkl-based calculation of total scattering patterns from discrete structure models using TOPAS 
• MS05P09 P. Rzepka (Czech Academy of Sciences, Prague, Czech Republic)  Pinpointing Aluminum Substructure in Zeolites by X-ray Anomalous (Resonant) Diffraction
• MS05P10 M. Turcato (University of Turin, Italy)  Quantitative Phase Analysis of Natural Pozzolans via Rietveld Refinement: Determining Crystalline and Amorphous Content for the Application as SCM  

MS06

• MS06P01 B. Antić (University of Belgrade, Serbia) Time-controlled synthesis of multicore maghemite nanoflowers: structure, defects and surface chemistry optimized for reactive interfaces
• MS06P02 A.-C. Dippel (DESY, Hamburg, Germany)  PDF across-the-board in science - the x-ray total scattering portfolio at P07-DESY and P21.1 at PETRA III
• MS06P03 B. Dojčinović (University of Belgrade, Serbia) Structure-Texture-DFT Correlation in Defect-Rich UiO-66-NH2 
• MS06P04 R. Kužel (Charles University, Praha, Czech Republic) Hexaferrite thin films grown by chemical solution deposition on differently oriented sapphire substrates
• MS06P05 V. Strotkötter (Ruhr University Bochum, Germany)  High-throughput structural investigation of Cu content-dependent second phase formation in compositionally complex spinel oxide thin film materials libraries
• MS06P06 S. Švarcová (Czech Academy of Sciences, Husinec-Řež, Czech Republic)  Acceleration of LC3 cement hydration by nanosilica and quartz

MS07

• MS07P01 M. Lampropoulou (University of Patras, Patras, Greece) Seeding-Driven Crystallization and Structural Investigation of the Coxsackievirus B3 3C Protease 
• MS07P02 M. U. Piepenbring (Goethe Universität Frankfurt, Germany) On the power of laboratory powder data: anisotropic refinement of C and isotropic refinement of H atoms 
• MS07P03 N. Tokumasu (Rigaku Corporation, Japan) Investigation of an X-ray Diffraction–Based Approach for Evaluating Crystal Habit

MS09

• MS09P01 M. Arhangelskis (University of Warsaw, Poland) Determination of highly-complex structures of zeolitic imidazolate frameworks through a combination of powder diffraction structure solution and periodic DFT calculations
• MS09P02 A. Armanious (ETH Zürich, Switzerland) Microscopic Origins of Surface Loss in Ultra-Thin Silicon Nitride Quantum Membranes: A Multi Technique Structural and Chemical Profiling Approach
• MS09P03 M. He (ESRF, France and University of Manchester, UK) Shaping the Morphology of Metal-Organic Frameworks for Gas Separation via Mixed Matrix Membranes
• MS09P04 A. Kossoy (Weizmann Institute of Science, Israel) A curious case of dolomite – insight on the origin of dolomitization in ancient plaster
• MS09P05 C. Montembault (ESRF, France and University Grenoble-Alpes, France) Degradation process of ancient egyptian pigments
• MS09P06 D. Piankova(ETH Zürich, Switzerland) Deciphering atomic and nanoscale dynamics of CaO under CO2 capture by combining in situ SAXS/WAXS and environmental STEM

MS10

• MS10P01 M. Afqir (Cadi Ayyad University, Marrakesh, Morocco) Granule size dependent sinterability of SrBi2Nb2O9 Aurivillius ceramics
• MS10P02 I. Bobrikov (Basque Research and Technology Alliance, Vitoria-Gasteiz, Spain) Pielaszek method for fast estimation of crystallite size distributions in functional materials
• MS10P03 C. Dejoie (ESRF, Grenoble, France) Insights into the organization of cellulose in ancient Egyptian papyrus
• MS10P04 M. A. Kojdecki (Military University of Technology, Warsaw, Poland) Simulated X-ray diffractograms for analysis of crystalline microstructure
• MS10P05 B.S. Newell (Idaho National Laboratory, USA) Diffraction-Based Quantification of Plasma-Induced Microstructural Evolution in Tungsten 
• MS10P06 D. Paulus (University of Bayreuth, Germany) X-ray diffraction reveals a new deposition mechanism for Powder Aerosol Deposition of films derived from layered crystalline materials

The Debussy Program Suite

Federica Bertolotti, University of Insurbia

The DebUsSy program suite (debyeusersystem.github.io) is an open-source collection of software
tools implementing a fast and efficient approach to the Debye Scattering Equation (DSE) for the
analysis of total scattering data in reciprocal space from nanocrystalline and/or defective materials.[1]
The package consists of two main suites: i) Claude (Crystalline LAyered User DatabasE) enables
users to efficiently construct atomic clusters with customizable sizes and shapes. ii) Debussy
(DEBye USer SYstem) uses the databases generated by Claude to perform rapid calculations of the
total scattering profiles of population of clusters contributing to the overall pattern, according to a
user-defined and adjustable size-distribution function.
During the demo session, I will present a practical demonstration of key software features, including
simultaneous fitting of one or multiple experimental datasets (e.g. SAXS and WAXS data, or data
collected from synchrotron and laboratory instruments), analysis of single- and multi-phase samples,
and modeling of structural properties (such as lattice expansion or contraction) as a function of
crystal size.
This software has been successfully applied to a wide range of functional nanomaterials, including
metals (also exhibiting twinning or other structural defects),[2] oxides,[3] biomimetic materials,[4]
colloidal quantum dots,[5] and halide perovskite nanocrystals.[6]

Analyzing powders grain-by-grain: the beautiful synergy between 3D-ED and XRD

The EPDIC Award for Young Scientists is assigned at each EPDIC Conference and honors outstanding scientific achievement by young scientists in the field of powder diffraction.

This year award was awarde to E. Isotta and R. Pittkowski

Eleonora Isotta (University of Trento, Trento, Italy and  Max Planck Institute for Sustainable Materials, Düsseldorf, Germany) 

On the role of polymorphism, crystal disorder, and microstructure evolution in materials for energy conversion and storage 

Chairs : Sebastian Bette (Max Planck Institute for Solid State Research,Stuttgart, Germany)

Speaker : Hanna Boström (University of Stockholm, Sweden) 

Metal-cyanide frameworks under pressure and radiation

Chair : Arkadiy Simonov (ETH Zürich, Switzerland)

Speaker : Martin U. Piepenbring (Goethe University, Frankfurt, Germany)

Crystal structure determination of nanocrystalline organic compounds - pushing the limits  

Chair : Rosanna Rizzi  (Institute of Crystallography, CNR, Italy))

MS03

• MS03P01 L. Ding (Malvern Panalytical B. V., Netherlands) X-ray absorption spectroscopy applications on a versatile laboratory X-ray diffractometer
• MS03P02 J. Edelvang-Pejrup (University of Copenhagen, Denmark) Capturing High Entropy Oxide Formation: Insights from In Situ X-ray Scattering and Absorption
• MS03P03 A. Herlihy (Diamond Light Source Ltd., UK) Overcoming Challenges in High-Pressure Total Scattering: Radial Diffraction with Low-Z Metallic Glass Gaskets
• MS03P04 N. H. Richter (University of Copenhagen, Denmark) Disordered High-Entropy Transition-metal Hydroxides: Synthesis, Local Structure and OER Activity
• MS03P05 A. Shevchenko (Max Planck Institute for Solid State Research, Stuttgart, Germany) Local structure – bulk property relationship in the mineral Strätlingite
• MS03P06 Y. Shiramata (Shimane University, Japan and Rigaku corporation, Japan) Extending the Capabilities of Laboratory-Based PDF Measurements
• MS03P07 R. S. Silberg (University of Copenhagen, Denmark) Exploring Signatures of Ions in Solution with Pair Distribution Function
• MS03P08 A. Simonov (ETH Zürich, Swizerland and Aarhus University, Denmark) Fast simulation of disordered crystals using Gaussian copulas
• MS03P09 C. A. Triana (University of Zürich, Switzerland) Structure Selection Dynamics of Cobalt Nanoparticles from Solution Synthesis
• MS03P10 B. Völker (Anton Paar GmbH, Graz, Austria) Advancing PDF Analysis: Fast and High-Quality Local Structure Insights with XRDynamic 500
• MS03P11 M. T. Wharmby (Bruker AXS SE, Karlsruhe Germany) MOF Glasses for Gas Separation: Structural Information from Laboratory Pair Distribution Function Analysis
• MS03P12 F. Z.T. Yang (University of Oxford, UK) Earth Abundant Mixed Metal Oxide Catalysts for Polyolefin Upcycling
• MS03P13 L. Yang (Tongji University, Shanghai, China) 3D probing of hidden nanoscale states in functional materials
  

MS04

• MS04P01 H. L. Andersen (CSIC, Madrid , Spain) Structural disorder and lithium diffusion pathways in lithium halide solid electrolytes
• MS04P02 R. Caradeuc (University of Edinburgh, UK)  Crystallographic insights into the solid-solid phase change of pentaglycerine
• MS04P03 J. Doody (University of Birmingham, UK)  Probing structural changes in the lithium imide system through anion doping
• MS04P04 E. Elvelo (Stockholm University, Sweden and Imperial Collage of London, UK) Pressure response of Prussian white - multidimensional phase diagram of an important cathode material 
• MS04P05 A. Hasil (LGF, Saint-Étienne, France) In-situ X-ray Diffraction of Inorganic Salt Hydrates for Thermal Energy Storage
• MS04P06 K. Emmerson (University of Edinburgh, Edinburgh, UK)  Investigating the Dehydration Mechanism of Disodium Hydrogen Phosphate Dodecahydrate for Thermal Management in Lithium-Ion Batteries
• MS04P07 M. Johansen (Aarhus University, Denmark and DESY, Hamburg, Germany)  Iron Migration and Oxygen Redox in Layered O3 type NaxFeyMn1- yO2 Cathodes for Na-ion Batteries
• MS04P08 A. Kirsch (Ruhr University Bochum, Germany and RC FEMS, Germany and University of Copenhagen, Denmark) Reversible Oxygen Exchange and Composition-Structure Relationships in High-Entropy Perovskites
• MS04P09 T. T. Lindsay (University of Aberdeen, Aberdeen, UK) The Versatility of Palmierite-Like Structural Features in Oxide Ion Conductors
• MS04P10 Y. Lu (University of Edinburgh, UK) X-Ray Diffraction Guided Optimisation of Mechanochemical Synthesis for Energy Storage Materials 
• MS04P11 W. Maiaugree (Thammasat University, Pathum Thani, Thailand)  Sustainable 3D Network Counter Electrodes Based on Peanut Shell–Derived rGO/NiS for Dye-Sensitized Solar Cells
• MS04P12 R. Matyšek (Maastricht University, the Netherlands)  Beyond entropy: diffraction insights into oxygen mobility in doped BaInO2.5-derived perovskites
• MS04P13 P. Mendelyte (University of Edinburgh, UK)  Investigating the order-disorder phase transitions in solid-solid phase-change materials for latent heat storage applications
• MS04P14 S. Misture (Alfred University, USA)  Controlling Disorder and Lithiation in Wadsley-Roth Shear Phases
• MS04P15 G. Nénert (Malvern Panalytical B.V., Almelo, Netherlands) Structure determination of new ionic conductors from complex mixtures
• MS04P16 J. Popović (Ruđer Bošković Institute, Zagreb, Croatia) Thermally and Mechanochemically Induced Structural Changes in Graphite and Their Impact on Electrochemical Behaviour
• MS04P17 A. Safdar (University of Aberdeen, UK)   YBi2O3.5+δSe1-xClx: A family of semiconductors with a charge- and defect-tunable triple fluorite layer
• MS04P18 G. Tedde (ESRF, Grenoble, France) In situ study of the carbon dioxide reforming of methane reaction using ZSM-5 zeolite as catalyst
• MS04P19 S. Y. Thompson (Aarhus University, Denmark) Exploring the composition space of disordered rocksalt battery cathode materials

MS05

• MS05P01 M. Beretta (University of Turin, Italy) In-situ synchrotron high resolution powder diffraction: the mullite formation and the role of quartz grain size in traditional ceramic
• MS05P02 A. Bernasconi (University of Turin, Italy) Ca-bearing secondary raw materials in traditional ceramics: XRD to tackle technological properties 
• MS05P03 P. Bezdička (Institute of Inorganic Chemistry of the Czech Academy of Sciences, Husinec-Řež, Czech Republic)  Determination of the content of the glass phase in silica refractories  
• MS05P04 W. Boyer (Proto Manufacturing Inc., USA) Accurate Lattice Parameter Measurements in a Welded Steel T-Sample
• MS05P05 F. Costa (University of Leeds,UK) Containerless PDF of Low-Density Materials Enabled by Acoustic Levitation
• MS05P06  L. C. Folkers-Karlsson (STOE & Cie GmbH, Darmstadt, Germany) Next-Generation Beam Alignment in the STADI P: Automated Optimization with ADAMAnT 
• MS05P07 H Gildenast (DECTRIS Ltd., Switzerland)  Fluorescence Suppression with POLLUX – A Hybrid Photon Counting Detector for X-ray Powder Diffraction 
• MS05P08 K. Mesecke (Monash University, Australia)  hkl-based calculation of total scattering patterns from discrete structure models using TOPAS 
• MS05P09 P. Rzepka (Czech Academy of Sciences, Prague, Czech Republic)  Pinpointing Aluminum Substructure in Zeolites by X-ray Anomalous (Resonant) Diffraction
• MS05P10 M. Turcato (University of Turin, Italy)  Quantitative Phase Analysis of Natural Pozzolans via Rietveld Refinement: Determining Crystalline and Amorphous Content for the Application as SCM  

MS06

• MS06P01 B. Antić (University of Belgrade, Serbia) Time-controlled synthesis of multicore maghemite nanoflowers: structure, defects and surface chemistry optimized for reactive interfaces
• MS06P02 A.-C. Dippel (DESY, Hamburg, Germany)  PDF across-the-board in science - the x-ray total scattering portfolio at P07-DESY and P21.1 at PETRA III
• MS06P03 B. Dojčinović (University of Belgrade, Serbia) Structure-Texture-DFT Correlation in Defect-Rich UiO-66-NH2 
• MS06P04 R. Kužel (Charles University, Praha, Czech Republic) Hexaferrite thin films grown by chemical solution deposition on differently oriented sapphire substrates
• MS06P05 V. Strotkötter (Ruhr University Bochum, Germany)  High-throughput structural investigation of Cu content-dependent second phase formation in compositionally complex spinel oxide thin film materials libraries
• MS06P06 S. Švarcová (Czech Academy of Sciences, Husinec-Řež, Czech Republic)  Acceleration of LC3 cement hydration by nanosilica and quartz

MS07

• MS07P01 M. Lampropoulou (University of Patras, Patras, Greece) Seeding-Driven Crystallization and Structural Investigation of the Coxsackievirus B3 3C Protease 
• MS07P02 M. U. Piepenbring (Goethe Universität Frankfurt, Germany) On the power of laboratory powder data: anisotropic refinement of C and isotropic refinement of H atoms 
• MS07P03 N. Tokumasu (Rigaku Corporation, Japan) Investigation of an X-ray Diffraction–Based Approach for Evaluating Crystal Habit

MS09

• MS09P01 M. Arhangelskis (University of Warsaw, Poland) Determination of highly-complex structures of zeolitic imidazolate frameworks through a combination of powder diffraction structure solution and periodic DFT calculations
• MS09P02 A. Armanious (ETH Zürich, Switzerland) Microscopic Origins of Surface Loss in Ultra-Thin Silicon Nitride Quantum Membranes: A Multi Technique Structural and Chemical Profiling Approach
• MS09P03 M. He (ESRF, France and University of Manchester, UK) Shaping the Morphology of Metal-Organic Frameworks for Gas Separation via Mixed Matrix Membranes
• MS09P04 A. Kossoy (Weizmann Institute of Science, Israel) A curious case of dolomite – insight on the origin of dolomitization in ancient plaster
• MS09P05 C. Montembault (ESRF, France and University Grenoble-Alpes, France) Degradation process of ancient egyptian pigments
• MS09P06 D. Piankova(ETH Zürich, Switzerland) Deciphering atomic and nanoscale dynamics of CaO under CO2 capture by combining in situ SAXS/WAXS and environmental STEM

MS10

• MS10P01 M. Afqir (Cadi Ayyad University, Marrakesh, Morocco) Granule size dependent sinterability of SrBi2Nb2O9 Aurivillius ceramics
• MS10P02 I. Bobrikov (Basque Research and Technology Alliance, Vitoria-Gasteiz, Spain) Pielaszek method for fast estimation of crystallite size distributions in functional materials
• MS10P03 C. Dejoie (ESRF, Grenoble, France) Insights into the organization of cellulose in ancient Egyptian papyrus
• MS10P04 M. A. Kojdecki (Military University of Technology, Warsaw, Poland) Simulated X-ray diffractograms for analysis of crystalline microstructure
• MS10P05 B.S. Newell (Idaho National Laboratory, USA) Diffraction-Based Quantification of Plasma-Induced Microstructural Evolution in Tungsten 
• MS10P06 D. Paulus (University of Bayreuth, Germany) X-ray diffraction reveals a new deposition mechanism for Powder Aerosol Deposition of films derived from layered crystalline materials

Co-Chairs : Robert Dinnebier, Arnt Kern 

Powder diffraction is the most widely used diffraction technique in research, both fundamental and, especially, Industrial. Across the fields of applied and research applications, there are shared interests regarding instrumental and specialised solutions. This microsymposium will focus on technical and methodological developments in powder diffraction methods, including advances in sample preparation, ease of operation, reproducibility and standardization, data collection, improved detection, data quality and data analysis. viations from the average structure, and complex materials for which elemental speciation should be untangled. 

10:00-10:30 A. A. Coelho (Coelho Software Pty Ltd, Australia) New features and enhancements in TOPAS Version 8

10:30-11:00 P. Scardi (University of Trento, Italy) XRD to study plasticity in nanocrystalline materials

11:00-11:20 B. David (University of Oxford, UK) Tackling the optimisation challenge of structural faulting in battery cathode materials

11:20-11:40 J. P. Tidey (University of Warwick, UK) 3D ED: Bridging the gap between bulk powders and pristine single crystals

11:40-12:00 K. Ufer ( BGR, Hannover, Germany) BGMNWrapper – a tool for efficient parametric Rietveld refinements of clay samples
 

Co-Chairs : Antonia Neels, Paolo Mazzeo

Recent advances in instrumentation technology and data analysis methods have made powder diffraction and scattering techniques a powerful tool for studying complex systems in materials chemistry, environmental science, and biomedical research. It enables three-dimensional reconstructions from crystallography-based information and can be combined very productively with spectroscopy methods, such as Raman and NMR, as well as various imaging techniques, computational methodologies, and techniques for thermal analysis, etc. This micro-symposium will highlight the interplay of powder diffraction methods with complementary analytical tools to gain detailed under-standing of complex structural processes in realistic settings. The emphasis will be on augmented information benefiting from the combination of synergistic analytical methods for tackling structural problems in chemistry, materials science and biology.

10:00-10:30 G. I. Lampronti (University of Cambridge, UK) Revealing insights into the amorphization mechanism of ZIF-4 and ZIF-62 by ball milling using in-situ PXRD, and ex-situ XAS, PDF and DSC

10:30-11:00 S. Salentinig (University of Fribourg, Switzerland) Designing Adaptive Soft Matter via Reaction-Driven Interfacial Assembly: A SAXS/GISAXS/GISANS Study

11:00-11:20 I. Brekalo (Ruđer Bošković Institute, Zagreb, Croatia) In situ monitoring of guest-assisted mechanochemical synthesis of porous materials

11:20-11:40 M. R. V. Jørgensen (Aarhus University, Denmark and MAX IV Laboratory, Sweden) Combined µXRD and µXRF mapping of hierarchical materials – atomic structure, crystallographic texture and chemical mapping over large areas.

11:40-12:00 R.N. Widmer ( EMPA, Thun, Switzerland) High-Throughput μXRD² Mapping and Analysis of Combinatorial Thin Films
 

A. A. Coelho (Coelho Software Pty Ltd, Australia) 

New features and enhancements in TOPAS Version 8 

G. I. Lampronti (University of Cambridge, UK) 

Revealing insights into the amorphization mechanism of ZIF-4 and ZIF-62 by ball milling using in-situ PXRD, and ex-situ XAS, PDF and DSC

P. Scardi (University of Trento, Italy) 

XRD to study plasticity in nanocrystalline materials 

S. Salentinig (University of Fribourg, Switzerland)

Designing Adaptive Soft Matter via Reaction-Driven Interfacial Assembly: A SAXS/GISAXS/GISANS Study 

B. David (University of Oxford, UK) 

Tackling the optimisation challenge of structural faulting in battery cathode materials  

I. Brekalo (Ruđer Bošković Institute, Zagreb, Croatia)  

In situ monitoring of guest-assisted mechanochemical synthesis of porous materials 

 J. P. Tidey (University of Warwick, UK) 

3D ED: Bridging the gap between bulk powders and pristine single crystals

 M. R. V. Jørgensen (Aarhus University, Denmark and MAX IV Laboratory, Sweden) 

Combined µXRD and µXRF mapping of hierarchical materials – atomic structure, crystallographic texture and chemical mapping over large areas. 

 K. Ufer (BGR, Hannover, Germany)

BGMNWrapper – a tool for efficient parametric Rietveld refinements of clay samples
 

 R.N. Widmer ( EMPA, Thun, Switzerland)

High-Throughput μXRD2 Mapping and Analysis of Combinatorial Thin Films 
 

MS01

• MS01P01 L. Adami (University of Ferrara, Italy) Rietveld Structural Analysis of Tl⁺-Exchanged K-L Zeolite from Powder Diffraction Data 
• MS01P02 L. Androš Dubraja (Ruđer Bošković Institute, Zagreb, Croatia) Correlating crystalline structure of LaCoO3 perovskites with the photocatalytic degradation of cefixime
• MS01P03 N. Audebrand (INSA Rennes, France) Cations localisation within the pores of the crystal structure of a terbium-based luminescent MOF as a chemical sensor
• MS01P04 E. Batisai (University of Venda, Thohoyandou, South Africa) Investigating the effect of the metal ion in carbon dioxide sorption in flexible isostructural metal–organic frameworks
• MS01P05 R. J. Cernik (University of Manchester, UK) Probing the Entropic Stabilization of High-Entropy Lanthanide Oxysulfates
• MS01P06 C. F. Eugenio (Ruhr-Universität, Germany and Universidad de los Andes, Colombia) Structure and magnetism of non-equimolar compositionally complex oxides
• MS01P07 T. Grgurić (Ruđer Bošković Institute, Zagreb, Croatia) Role of liquid in cocrystallization of 2,2’-bipyridine with salicylic and anthranilic acid  
• MS01P08 M. Jurić (Ruđer Bošković Institute, Zagreb, Croatia) Effect of temperature on structural properties and photocatalytic performance of Ni- and Mn-doped LaCoO3
• MS01P09 D. Kuznetsov (ETH Zürich, Switzerland) Lattice oxygen coupling during water oxidation on an oxide electrocatalyst probed by X-ray and neutron techniques
• MS01P10 P. N. Lekshmi (University of Porto, Portugal) Structural Evolution and Uniaxial Negative Thermal Expansion in RbNdTa₂O₇
• MS01P11 J. J. B. Levinsky (University of Edinburgh, UK) The Role of Hydrogen Bond Competition in the Colossal Barocaloric Response of Choline-based Plastic Crystals
  
• MS01P12 K. Lisac (Ruđer Bošković Institute, Zagreb, Croatia) Novel topologies of zinc imidazolate (ZnIm2) prepared by mechanochemistry 
• MS01P13 V. Martinez ( Ruđer Bošković Institute, Zagreb, Croatia) Liquid additive directed mechanosynthesis of copper (II) based Ruddlesden-Popper perovskites
  
• MS01P14 P. P. Mazzeo (University of Parma, Italy) Mechanochemistry-Accessed MOF Polymorphism Revealed by an Integrated 3DED/DFT-Assisted Rietveld Analysis
• MS01P15 J.A.O. Neto (Universidade Federal de Minas Gerais, Brazilia) Structural and Electrochromic Properties of IR-MOF-74 III Thin Films on Functionalized FTO Substrates
• MS01P16 K. Okyere (KNUST, Kumasi, Ghana) Agro-waste-derived functional materials for dye removal: Cocoa nib shell functionalized gum ghatti grafted poly (acrylamide-co-acrylic acid) 
• MS01P17 E. Petrović Hađar (Ruđer Bošković Institute, Zagreb, Croatia) Thermo-mechanochemistry towards new MOF-74 derivatives 
• MS01P18 H.S. Rahimi Mosafer (Institute of Physics,Warsaw, Poland) Solubility limit and thermostructural properties of new kagome material
• MS01P19 D. Terebenec (EMPA,Dübendorf, Switzerland)  Short-range atomic structure of Pd40Cu30Ni10P20 metallic glass: insights from Xray pair distribution function analysis in bulk and thin films 
• MS01P20 M. Toku (Kwame Nkrumah University of Science and Technology, Kumasi, Ghana and Accra Technical University, Accra, Ghana) Pristine Amorphous Silica Xerogel inclusion in Limestone Calcined Clay Cement (LC3) production
• MS01P21 S. Welzmiller (Thermo Fisher Scientific, Cheseaux-sur-Lausanne, Switzerland) Digging into different symmetries in crowded systems: C3S, C2S, C3A and all the polymorphs 
• MS01P22 A. A. White (Ben Gurion University of the Negev, Beer Sheva, Israel) Exploring Structural Properties of the Al-Mn-Ni based φ Phase 
• MS01P23 K. F. Würzer (university of Zürich, Switzerland) Selective Synthesis of Cobalt Oxo Cubane Polymorphs
• MS01P24 Y. Xu (Ruđer Bošković Institute, Zagreb, Croatia) Mechanochemical synthesis of biocompatible metal-organic frameworks and guest encapsulation

MS02

• MS02P01 S. Bette (Max Planck Institute for Solid State Research, Stuttgart, Germany) CO2 and H2O sorption induced bulk-phase changes of CALF-20 captured using in situ laboratory X-ray powder diffraction 
• MS02P02 D. Bonavia (PSI, Villigen, Switzerland) The new Debye beamline at SLS2.0: a versatile operando platform for X-ray scattering and X-ray absorption spectroscopy
• MS02P03 S. Burazer (Ruđer Bošković Institute, Zagreb, Croatia) Operando XRD Investigation Towards Industrially Relevant Battery Configurations Using the DANOISE Cell 
• MS02P04 E. Díaz-Acevedo (Universidad de Málaga, Spain) In-situ hydration studies of PC: a joint laboratory powder diffraction (MoKα1) and calorimetry approach
• MS02P05 F. Fauth (CELLS-ALBA Synchrotron, Barcelona, Spain) MSPD : 12 years of SXRPD on Operando Batteries at ALBA, MSPD2 to come
• MS02P06 F. H. Gjørup (Aarhus University, Denmark and MAX IV Laboratory, Lund, Sweden) A(nother) file format? A standardized format for large azimuthally integrated area detector data
• MS02P07 D. S. Gonçalves (LNLS, Brazilian Center for Research in Energy and Materials, Brazil) A High-Pressure Capillary Reactor for In Situ and Operando Powder X-Ray Diffraction: Design and Proof-of-Concept Performance
• MS02P08 G. Guerrero-Muñoz (Universidad de Málaga, Spain) In situ hydration studies of C3S: a joint laboratory powder diffraction (MoKα1) and calorimetry approach
• MS02P09 K. Hibino (Rigaku Corporation, Japan)   Temperature‑Dependent Crystallization Behavior of Natural Rubber during Stretching Studied by In‑situ WAXS
• MS02P10 J. Jacobs (Martin-Luther-Universität Halle-Wittenberg, Germany) A simple Capillary Reactor to Study Solid/Solid and Solid/Gas Reactions in the Lab by in situ XRD with Coupled Mass Spectrometry (XRD-MS)
• MS02P11 G. Maranini  (University of Pavia, Italy)  In-situ High-Resolution Synchrotron XRD study of Temperature Phase evolution in (Mg,Co,Ni,Zn)1-xCuxO high entropy system
• MS02P12 M. J. Marks (University of Copenhagen, Denmark) Multimodal Operando XRD, PDF and XAS Reveal the Structural Evolution of Layered Ni OER Catalysts
• MS02P13 K. Marshall (Swiss-Norwegian beamlines, ESRF, France) Science with combined scattering and spectroscopy experiments on BM31 at SNBL
• MS02P14 C. McMonagle (SNBL at ESRF, Grenoble, France) A new sapphire capillary cell: a moderate pressure cell for powder diffraction at The Swiss- Norwegian Beamlines at ESRF
• MS02P15 L. F. Pedersen (University of Copenhagen, Denmark) Tracking and modelling the in situ formation of NiCo layered double hydroxides using pair distribution function analysis
• MS02P16 B. Puhr (Anton Paar GmbH, Graz, Austria) In Situ and Operando X-Ray Diffraction Under Non-Ambient Conditions: Recent Application Examples
• MS02P17 S. Punke (University of Copenhagen, Denmark) The electrochemical oxidation of Pt nanocatalysts – an operando X-ray scattering study 
• MS02P18 R. Rae (University of Edinburgh, UK) Understanding the Dehydration and Rehydration Pathway of Calcium Monosulfoaluminate
• MS02P19 A. Shlyaykher (Philipps University Marburg, Germany) Polymorphism of Tl[ChCN] (Ch=O, S, Se) 
• MS02P20 A. Sleptsova (Max Planck Institute for Solid State Research, Stuttgart, Germany ) Breathing behaviour of CALF-20 MOF during gas sorption: in situ XRPD study 
• MS02P21 V. Smith (Bruker AXS SE, Karlsruhe Germany) Investigating the Structural Response of the CAU-64 Family of Compounds to Temperature and Humidity Through Combined Laboratory Single-Crystal and Powder Diffraction Studies
• MS02P22 E. Solé Chaos (University of Copenhagen, Denmark) Synthesis and time-resolved studies of the stability of LaMO3 perovskites in acid
• MS02P23  J. Thomas-Hunt (Aarhus University, Denmark)   The Fast Formation of Yttrium Iron Garnet: an In-Situ Study of Sol-Gel Synthesis
• MS02P24 J. Volný (Advacam, Prague, Czech Republic) Energy dispersive X-ray diffraction in laboratory conditions using 2D photon counting detector 
• MS02P25 Q. Zhang (ETH Zürich, Switzerland) Unravelling the Dynamic Reconstruction of PdIn Intermetallic Nanoparticles during CO2 Hydrogenation to Methanol by Operando XRD, PDF and XAS 

MS08

• MS08P01 E. Bervas (PSI, Villigen, Switzerland and Swiss Nanoscience Institute, Basel, Switzerland) Re-explaining Heavy-Fermion Magnetism through Crystallography
• MS08P02 M. Islam (PSI, Villigen, Switzerland and Zürich University, Switzerland) Shastry-Sutherland Compound ErB4 – a Potential Spin Supersolid Candidate  
• MS08P03 E. Kislitsinaa (Maastricht University, The Netherlands) Combined X-ray and Neutron Diffraction investigation of multimetallic and High-Entropy transition metal Phosphates
• MS08P04 E. Mégroz (University of Fribourg, Switzerland) SANS-Guided Design of Responsive Microemulsions
• MS08P05 N. Paul (Technische Universität München, Germany) Neutron diffraction reveals insights into degradation mechanisms in Co-free batteries
• MS08P06 M.T. Pelly (University of St Andrews, UK) Exploiting symmetry-adapted structural distortions for electronic singularity engineering in Sr3Ru2O7
• MS08P07 I. Plokhikh (Dortmund University, Germany) Magnetic Ground State of Bilayer Nickelates La3Ni2O7 and La2PrNi2O7 via Neutron Diffraction
• MS08P08 E. Pomjakushina (PSI, Villigen, Switzerland) Materials with possible novel quantum states with RMX structure-type: crystal growth and study
• MS08P09 D. I. Walicka (PSI, Villigen, Switzerland) Investigation of the magnetic structure of EuCu9Sn4 via powder neutron diffraction
• MS08P10 C.-E. Zhang (Tamkang University, New Taipei City, Taiwan) Study of the honeycomb lattice material (Mn0.5Ni0.5)2Mo3O8

MS12

• MS12P01 M. Abdellatief (Diamond Light Source, UK) Capabilities and Upgrades of the I15 Beamline at Diamond Light Source for XRD at Extreme Conditions 
• MS12P02 M. C. Kokkinidou (Oxford Cryosystems Ltd, UK)  Versatile cryogenic sample exchange with the Phenix Front Loader: applications from physics and chemistry of materials to studying planetary ices 
• MS12P03 T. Donatz (DECTRIS AG, Switzerland) PILATUS4 CdTe Detectors: Enabling Sub-Millisecond Synchrotron-Based In-situ Studies under Extreme Conditions 
• MS12P04 E. Gutiérrez-Fernández (ESRF, Grenoble, France) Correcting Parallax Effects in X-ray Area Detectors: A Novel Integral Method for Enhanced Peak Position in pyFAI
• MS12P05 N. Lefeld (DESY, Germany) Overview and Developments at the High-Energy Beamline P21.2, Petra III, DESY

Bringing Advanced X-ray Insights into the Home Laboratory 

Advanced X-ray methods are increasingly moving from specialist facilities into routine laboratory workflows. In this contribution, we present recent developments that extend the analytical capabilities of Malvern Panalytical X-ray platforms, from compact thin-film metrology to element-specific local-structure analysis and advanced crystallographic interpretation.

Enabled by hybrid pixel area-detector technology, frame-based 1D acquisition brings new speed, flexibility and simplicity to X-ray reflectometry. This approach, previously associated with floor-standing diffractometers, is now being implemented on the compact Aeris platform, making XRR more accessible, alignment free while preserving the ease of use expected from a compact system. 

At the other end of the platform range, Empyrean’s multipurpose architecture and modular optics combined advanced detector technology enables laboratory X-ray absorption spectroscopy as a complement to conventional diffraction. Recent work published demonstrated transmission-mode XAS on a laboratory powder diffractometer, enabling XANES and EXAFS measurements without requiring synchrotron access [1]. 

Finally, we will show how the HighScore suite supports the interpretation of increasingly complex diffraction data, including phase identification, Rietveld analysis, crystallographic analysis and workflows for challenging multiphase systems with unknown crystal structure [2]. Together, these developments illustrate how compact and multipurpose laboratory X-ray platforms can broaden access to thin-film metrology, local-structure analysis and robust structure determination in the home laboratory. 

References

[1] M. Gateshki, C. Zarkadas and D. Beckers, “Application of X-ray absorption spectroscopy with a laboratory X-ray powder diffractometer,” Journal of Applied Crystallography, 2026. 

[2] T. Degen, M. Sadki, E. Bron, U. König and G. Nénert, “The HighScore suite,” Powder Diffraction, 29, Supplement S2, S13–S18, 2014.

Co-Chairs : Catherine Dejoie, Jean-Noël Chotard

This microsymposium will showcase advancements and applications of structural methods designed to understand materials under relevant operating conditions, while tracking dynamic changes in non-ambient environments. The session will focus on both methodological and instrumental innovations that facilitate the capture of structural information in real-time and under challenging conditions. Presentations will highlight the design and implementation of advanced experimental setups, custom sample environments, and state-of-the-art facilities that enable researchers to investigate complex and dynamic systems. Additionally, MS02 will focus on the analytical challenges posed by the complex datasets generated by these experiments. Contributions may include strategies for data processing, modelling, and interpretation to achieve a comprehensive understanding of the materials' structure.

13:30-14:00 S. A. Cussen (University College Dublin, Ireland) Coat-doping strategies for stabilizing Ni-rich layered cathodes

14:00-14:30 M. Coduri (University of Pavia, Italy and SCITEC, Milano, Italy) Quasi simultaneous operando XRD/XAS studies in heterogeneous catalysis

14:30-14:50 F. Manzoni (EMPA, Switzerland and Aachen University, Germany) Modulation Excitation PDF for Studying Dynamic Changes in Ni based Catalyst

14:50-15:10  M. R. Suchomel (University of Bordeaux, France) Development of a Flexible In-Situ Cell for Structural Studies of Hydro/Solvothermal Chemistry under Sub- and Supercritical Conditions

15:10-15:30 J. Simonsen (Aarhus University, Denmark) SiEN₂AH: Custom in situ sample environment for fast and high-temperature sintering in mixed nitrogen/oxygen atmospheres using 2D PXRD
 

Co-Chairs : Irene Margiolaki, Arnaud Grandeury

Diffraction-based techniques have long been fundamental to the characterization of pharmaceutical and biological materials. Today, the growing diversity and complexity of therapeutic modalities, ranging from small molecules and biologics to emerging entities such as RNA-based drugs and antibody–drug conjugates, demand advanced structural and analytical approaches to elucidate their properties both as active substances and within formulated products.

Modern diffraction and scattering methods offer powerful and complementary tools to address these challenges. X-ray powder diffraction (XRPD) extends beyond phase identification to enable quantitative phase analysis, microstructural characterization, and even structure determination from powders. Electron diffraction and small-angle scattering (SAXS/SANS) provide critical insights into nanoscale organization, aggregation behavior, and structural dynamics of pharmaceutical and biological systems.

This microsymposium will bring together researchers working at the interface of crystallography, pharmaceutical sciences, and biology. Contributions will highlight methodological advances, innovative applications, and case studies demonstrating how diffraction and scattering techniques together drive progress in drug design, development, and formulation.

13:30-14:00 K. Shankland (University of Reading, UK) The evolution of SDPD for molecular organics: from routine PXRD to DFT-D

14:00-14:30 M. Puchkov (University of Basel, Switzerland) Revealing Microstructural Dynamics in Pharmaceutical Materials with Advanced X-ray Imaging and Analysis

14:30-14:45 L. Rabut (University of Fribourg, Switzerland)  Solvent-Driven Control of Structure in Short Fmoc Peptide Hydrogels: A SAXS Study

14:45-15:00  D. Stefanita (Empa, Switzerland, and University of Fribourg, Switzerland) Local antibiotic therapy: in situ time-resolved powder diffraction studies on drug carrier systems

15:00-15:15  C. Papaefthymiou (ESRF, France and University of Patras, Greece) Structural Investigation of Insulin Complexes for the Development of Drugs Against Diabetes

15:15-15:30  D. Popović (Malvern Panalytical GmbH, Netherlands) Crystallization of molecular glass: from amorphous state to new polymorphic forms in the API sodium naproxen

S. A. Cussen (University College Dublin, Ireland) 

Coat-doping strategies for stabilizing Ni-rich layered cathodes  

K. Shankland (University of Reading, UK)

The evolution of SDPD for molecular organics: from routine PXRD to DFT-D

M. Coduri (University of Pavia, Italy)

Quasi simultaneous operando XRD/XAS studies in heterogeneous catalysis

M. Puchkov (University of Basel, Switzerland)

Revealing Microstructural Dynamics in Pharmaceutical Materials with Advanced X-ray Imaging and Analysis

 F. Manzoni (EMPA, Switzerland and Aachen University, Germany) 

Modulation Excitation PDF for Studying Dynamic Changes in Ni based Catalyst

L. Rabut (University of Fribourg, Switzerland) 

Solvent-Driven Control of Structure in Short Fmoc Peptide Hydrogels: A SAXS Study 

 D. Stefanita (Empa, Switzerland, and University of Fribourg, Switzerland)

Local antibiotic therapy: in situ time-resolved powder diffraction studies on drug carrier systems 

 M. R. Suchomel (University of Bordeaux, France) 

Development of a Flexible In-Situ Cell for Structural Studies of Hydro/Solvothermal Chemistry under Sub- and Supercritical Conditions

 C. Papaefthymiou (ESRF, France and University of Patras, Greece)

Structural Investigation of Insulin Complexes for the Development of Drugs Against Diabetes 

 J. Simonsen (Aarhus University, Denmark)

SiEN2AH: Custom in situ sample environment for fast and high-temperature sintering in mixed nitrogen/oxygen atmospheres using 2D PXRD
 

D. Popović (Malvern Panalytical GmbH, Netherlands)

Crystallization of molecular glass: from amorphous state to new polymorphic forms in the API sodium naproxen

Everybody should be present at 15:30 for the Group Photo!!

MS01

• MS01P01 L. Adami (University of Ferrara, Italy) Rietveld Structural Analysis of Tl⁺-Exchanged K-L Zeolite from Powder Diffraction Data 
• MS01P02 L. Androš Dubraja (Ruđer Bošković Institute, Zagreb, Croatia) Correlating crystalline structure of LaCoO3 perovskites with the photocatalytic degradation of cefixime
• MS01P03 N. Audebrand (INSA Rennes, France) Cations localisation within the pores of the crystal structure of a terbium-based luminescent MOF as a chemical sensor
• MS01P04 E. Batisai (University of Venda, Thohoyandou, South Africa) Investigating the effect of the metal ion in carbon dioxide sorption in flexible isostructural metal–organic frameworks
• MS01P05 R. J. Cernik (University of Manchester, UK) Probing the Entropic Stabilization of High-Entropy Lanthanide Oxysulfates
• MS01P06 C. F. Eugenio (Ruhr-Universität, Germany and Universidad de los Andes, Colombia) Structure and magnetism of non-equimolar compositionally complex oxides
• MS01P07 T. Grgurić (Ruđer Bošković Institute, Zagreb, Croatia) Role of liquid in cocrystallization of 2,2’-bipyridine with salicylic and anthranilic acid  
• MS01P08 M. Jurić (Ruđer Bošković Institute, Zagreb, Croatia) Effect of temperature on structural properties and photocatalytic performance of Ni- and Mn-doped LaCoO3
• MS01P09 D. Kuznetsov (ETH Zürich, Switzerland) Lattice oxygen coupling during water oxidation on an oxide electrocatalyst probed by X-ray and neutron techniques
• MS01P10 P. N. Lekshmi (University of Porto, Portugal) Structural Evolution and Uniaxial Negative Thermal Expansion in RbNdTa₂O₇
• MS01P11 J. J. B. Levinsky (University of Edinburgh, UK) The Role of Hydrogen Bond Competition in the Colossal Barocaloric Response of Choline-based Plastic Crystals
  
• MS01P12 K. Lisac (Ruđer Bošković Institute, Zagreb, Croatia) Novel topologies of zinc imidazolate (ZnIm2) prepared by mechanochemistry 
• MS01P13 V. Martinez ( Ruđer Bošković Institute, Zagreb, Croatia) Liquid additive directed mechanosynthesis of copper (II) based Ruddlesden-Popper perovskites
  
• MS01P14 P. P. Mazzeo (University of Parma, Italy) Mechanochemistry-Accessed MOF Polymorphism Revealed by an Integrated 3DED/DFT-Assisted Rietveld Analysis
• MS01P15 J.A.O. Neto (Universidade Federal de Minas Gerais, Brazilia) Structural and Electrochromic Properties of IR-MOF-74 III Thin Films on Functionalized FTO Substrates
• MS01P16 K. Okyere (KNUST, Kumasi, Ghana) Agro-waste-derived functional materials for dye removal: Cocoa nib shell functionalized gum ghatti grafted poly (acrylamide-co-acrylic acid) 
• MS01P17 E. Petrović Hađar (Ruđer Bošković Institute, Zagreb, Croatia) Thermo-mechanochemistry towards new MOF-74 derivatives 
• MS01P18 H.S. Rahimi Mosafer (Institute of Physics,Warsaw, Poland) Solubility limit and thermostructural properties of new kagome material
• MS01P19 D. Terebenec (EMPA,Dübendorf, Switzerland)  Short-range atomic structure of Pd40Cu30Ni10P20 metallic glass: insights from Xray pair distribution function analysis in bulk and thin films 
• MS01P20 M. Toku (Kwame Nkrumah University of Science and Technology, Kumasi, Ghana and Accra Technical University, Accra, Ghana) Pristine Amorphous Silica Xerogel inclusion in Limestone Calcined Clay Cement (LC3) production
• MS01P21 S. Welzmiller (Thermo Fisher Scientific, Cheseaux-sur-Lausanne, Switzerland) Digging into different symmetries in crowded systems: C3S, C2S, C3A and all the polymorphs 
• MS01P22 A. A. White (Ben Gurion University of the Negev, Beer Sheva, Israel) Exploring Structural Properties of the Al-Mn-Ni based φ Phase 
• MS01P23 K. F. Würzer (university of Zürich, Switzerland) Selective Synthesis of Cobalt Oxo Cubane Polymorphs
• MS01P24 Y. Xu (Ruđer Bošković Institute, Zagreb, Croatia) Mechanochemical synthesis of biocompatible metal-organic frameworks and guest encapsulation

MS02

• MS02P01 S. Bette (Max Planck Institute for Solid State Research, Stuttgart, Germany) CO2 and H2O sorption induced bulk-phase changes of CALF-20 captured using in situ laboratory X-ray powder diffraction 
• MS02P02 D. Bonavia (PSI, Villigen, Switzerland) The new Debye beamline at SLS2.0: a versatile operando platform for X-ray scattering and X-ray absorption spectroscopy
• MS02P03 S. Burazer (Ruđer Bošković Institute, Zagreb, Croatia) Operando XRD Investigation Towards Industrially Relevant Battery Configurations Using the DANOISE Cell 
• MS02P04 E. Díaz-Acevedo (Universidad de Málaga, Spain) In-situ hydration studies of PC: a joint laboratory powder diffraction (MoKα1) and calorimetry approach
• MS02P05 F. Fauth (CELLS-ALBA Synchrotron, Barcelona, Spain) MSPD : 12 years of SXRPD on Operando Batteries at ALBA, MSPD2 to come
• MS02P06 F. H. Gjørup (Aarhus University, Denmark and MAX IV Laboratory, Lund, Sweden) A(nother) file format? A standardized format for large azimuthally integrated area detector data
• MS02P07 D. S. Gonçalves (LNLS, Brazilian Center for Research in Energy and Materials, Brazil) A High-Pressure Capillary Reactor for In Situ and Operando Powder X-Ray Diffraction: Design and Proof-of-Concept Performance
• MS02P08 G. Guerrero-Muñoz (Universidad de Málaga, Spain) In situ hydration studies of C3S: a joint laboratory powder diffraction (MoKα1) and calorimetry approach
• MS02P09 K. Hibino (Rigaku Corporation, Japan)   Temperature‑Dependent Crystallization Behavior of Natural Rubber during Stretching Studied by In‑situ WAXS
• MS02P10 J. Jacobs (Martin-Luther-Universität Halle-Wittenberg, Germany) A simple Capillary Reactor to Study Solid/Solid and Solid/Gas Reactions in the Lab by in situ XRD with Coupled Mass Spectrometry (XRD-MS)
• MS02P11 G. Maranini  (University of Pavia, Italy)  In-situ High-Resolution Synchrotron XRD study of Temperature Phase evolution in (Mg,Co,Ni,Zn)1-xCuxO high entropy system
• MS02P12 M. J. Marks (University of Copenhagen, Denmark) Multimodal Operando XRD, PDF and XAS Reveal the Structural Evolution of Layered Ni OER Catalysts
• MS02P13 K. Marshall (Swiss-Norwegian beamlines, ESRF, France) Science with combined scattering and spectroscopy experiments on BM31 at SNBL
• MS02P14 C. McMonagle (SNBL at ESRF, Grenoble, France) A new sapphire capillary cell: a moderate pressure cell for powder diffraction at The Swiss- Norwegian Beamlines at ESRF
• MS02P15 L. F. Pedersen (University of Copenhagen, Denmark) Tracking and modelling the in situ formation of NiCo layered double hydroxides using pair distribution function analysis
• MS02P16 B. Puhr (Anton Paar GmbH, Graz, Austria) In Situ and Operando X-Ray Diffraction Under Non-Ambient Conditions: Recent Application Examples
• MS02P17 S. Punke (University of Copenhagen, Denmark) The electrochemical oxidation of Pt nanocatalysts – an operando X-ray scattering study 
• MS02P18 R. Rae (University of Edinburgh, UK) Understanding the Dehydration and Rehydration Pathway of Calcium Monosulfoaluminate
• MS02P19 A. Shlyaykher (Philipps University Marburg, Germany) Polymorphism of Tl[ChCN] (Ch=O, S, Se) 
• MS02P20 A. Sleptsova (Max Planck Institute for Solid State Research, Stuttgart, Germany ) Breathing behaviour of CALF-20 MOF during gas sorption: in situ XRPD study 
• MS02P21 V. Smith (Bruker AXS SE, Karlsruhe Germany) Investigating the Structural Response of the CAU-64 Family of Compounds to Temperature and Humidity Through Combined Laboratory Single-Crystal and Powder Diffraction Studies
• MS02P22 E. Solé Chaos (University of Copenhagen, Denmark) Synthesis and time-resolved studies of the stability of LaMO3 perovskites in acid
• MS02P23  J. Thomas-Hunt (Aarhus University, Denmark)   The Fast Formation of Yttrium Iron Garnet: an In-Situ Study of Sol-Gel Synthesis
• MS02P24 J. Volný (Advacam, Prague, Czech Republic) Energy dispersive X-ray diffraction in laboratory conditions using 2D photon counting detector 
• MS02P25 Q. Zhang (ETH Zürich, Switzerland) Unravelling the Dynamic Reconstruction of PdIn Intermetallic Nanoparticles during CO2 Hydrogenation to Methanol by Operando XRD, PDF and XAS 

MS08

• MS08P01 E. Bervas (PSI, Villigen, Switzerland and Swiss Nanoscience Institute, Basel, Switzerland) Re-explaining Heavy-Fermion Magnetism through Crystallography
• MS08P02 M. Islam (PSI, Villigen, Switzerland and Zürich University, Switzerland) Shastry-Sutherland Compound ErB4 – a Potential Spin Supersolid Candidate  
• MS08P03 E. Kislitsinaa (Maastricht University, The Netherlands) Combined X-ray and Neutron Diffraction investigation of multimetallic and High-Entropy transition metal Phosphates
• MS08P04 E. Mégroz (University of Fribourg, Switzerland) SANS-Guided Design of Responsive Microemulsions
• MS08P05 N. Paul (Technische Universität München, Germany) Neutron diffraction reveals insights into degradation mechanisms in Co-free batteries
• MS08P06 M.T. Pelly (University of St Andrews, UK) Exploiting symmetry-adapted structural distortions for electronic singularity engineering in Sr3Ru2O7
• MS08P07 I. Plokhikh (Dortmund University, Germany) Magnetic Ground State of Bilayer Nickelates La3Ni2O7 and La2PrNi2O7 via Neutron Diffraction 
• MS08P08 E. Pomjakushina (PSI, Villigen, Switzerland) Materials with possible novel quantum states with RMX structure-type: crystal growth and study
• MS08P09 D. I. Walicka (PSI, Villigen, Switzerland) Investigation of the magnetic structure of EuCu9Sn4 via powder neutron diffraction
• MS08P10 C.-E. Zhang (Tamkang University, New Taipei City, Taiwan) Study of the honeycomb lattice material (Mn0.5Ni0.5)2Mo3O8

MS12

• MS12P01 M. Abdellatief (Diamond Light Source, UK) Capabilities and Upgrades of the I15 Beamline at Diamond Light Source for XRD at Extreme Conditions 
• MS12P02 M. C. Kokkinidou (Oxford Cryosystems Ltd, UK)  Versatile cryogenic sample exchange with the Phenix Front Loader: applications from physics and chemistry of materials to studying planetary ices 
• MS12P03 T. Donatz (DECTRIS AG, Switzerland) PILATUS4 CdTe Detectors: Enabling Sub-Millisecond Synchrotron-Based In-situ Studies under Extreme Conditions 
• MS12P04 E. Gutiérrez-Fernández (ESRF, Grenoble, France) Correcting Parallax Effects in X-ray Area Detectors: A Novel Integral Method for Enhanced Peak Position in pyFAI
• MS12P05 N. Lefeld (DESY, Germany) Overview and Developments at the High-Energy Beamline P21.2, Petra III, DESY

Search-match in the cloud—the Momentum Transfer analysis platform

M. W. Terban

In this session, we will present the features of the Momentum Transfer analysis platform, highlighting a new search-match tool that is fast, free to use, and requires no local installation. Currently, the tool enables phase identification on X-ray diffraction data—whether collected using synchrotron radiation or uploaded from other sources—by utilizing the Crystallographic Open Database (COD) [1]. Users can easily filter their searches by chemistry and crystal system, and compatibility with other databases will be available soon. Finally, we will discuss upcoming access to an open X-ray scattering measurements database for FAIR data, collected as part of the Materials Scattering Network (MatScatNet) project funded by OSCARS.

From Ambient to Operando: New Developments in XRD and Non-Ambient XRD at Anton Paar

Anton Paar has a long-standing history in X-ray analysis, beginning with the development of the first commercial Kratky small angle X-ray scattering (SAXS) camera in the 1950s and continuing today with a broad portfolio of X-ray diffraction (XRD), SAXS, and non-ambient XRD solutions. By combining developments in X-ray sources, optics, automation, and sample environment technologies, Anton Paar provides versatile instrumentation solutions for modern material characterization.

This presentation highlights the latest advancements in laboratory powder XRD instrumentation from Anton Paar, focusing on XRDynamic 500, the new XRDynamic Autosampler, and next-generation non-ambient XRD solutions. Key developments include automated beam geometry switching, self-alignment routines, evacuated beam paths, and high-resolution optics, providing outstanding data quality, low background, and maximum experimental flexibility. The newly introduced autosampler further enhances laboratory efficiency by enabling automated high-throughput measurements of up to 105 samples with minimal user intervention.  

Special emphasis is placed on Anton Paar’s leadership in non-ambient XRD, including the HTK 1500 High-Temperature Chamber environmental heater and integrated in situ/operando capabilities for studies under controlled temperature, gas atmosphere, humidity, pressure, and electrical load conditions. Application examples from batteries, catalysts, pharmaceuticals, ceramics, metals, and functional materials demonstrate how Anton Paar combines precision engineering, automation, and ease of use to drive the future of diffraction-based materials research.  

Non-Ambient Diffraction with Cobra Systems: Flexible Cryogenic and Heating Environments
for Modern Crystallography. 

The Cobra open-flow systems developed by Oxford Cryosystems Ltd provide stable, flexible, and highly reproducible non-ambient sample environments for X-ray and neutron diffraction experiments. Designed for rapid temperature control between 80 K and 500 K, and compatible with both laboratory diffractometers and large-scale facility instrumentation, Cobra systems support structural investigations across chemistry, materials science, catalysis, and energy research.

Variable temperature and controlled atmosphere experiments enable the study of structural evolution, phase stability, gas–solid interactions, adsorption processes, and thermally driven transformations under application relevant conditions. This makes the platform well suited to sensitive or reactive materials, including porous frameworks, energy materials, catalysts, and crystalline systems requiring precise environmental control.

Specialised configurations, including Dual Cobra operation, argon based environments, and Wide Nozzle geometries, further extend the applicability of the platform. Flexible gas handling supports neutron diffraction and total scattering experiments using custom sample cells and in situ methodologies, while enhanced gas stream stability improves crystal alignment during demanding single-crystal diffraction measurements.

Across these applications, Cobra systems deliver precise thermal control, excellent temperature stability, and reliable sample accessibility. Their modularity and adaptability continue to support increasingly sophisticated non ambient diffraction experiments in crystallography and materials research.

The EPDIC Award for Young Scientists is assigned at each EPDIC Conference and honors outstanding scientific achievement by young scientists in the field of powder diffraction.

This year award was awarde to E. Isotta and R. Pittkowski

Rebecca Pittkowski  (University of Copenhagen, Denmark)

Probing Catalysts in Action: Multi-technique Operando Studies of Nanoparticle Electrocatalysts 

Chairs : D. B. Ravnsbæk, (Aarhus University)

Speaker : Philip Chater (Diamond Light Source, UK)

Powder diffraction and total scattering across time-scales at Diamond Light Source

Chair : Federica Bertolotti (University of Insubria, Italy)

The restaurant is part of the Fondation l’Opale museum, and throughout the evening you will have exclusive access to the current exhibition—an opportunity to explore contemporary art in a relaxed and festive setting.

Nestled directly beside a beautiful lake and surrounded by breathtaking mountain views, Fondation l’Opale offers an unforgettable Alpine atmosphere. For the courageous among you, the lake is just steps away—so feel free to bring your swimsuit if you’re tempted by a refreshing dip.

The venue is located approximately 10 minutes by car from the conference center. Shuttle buses will depart at 7:00 PM and 7:30 PM. Please note that the will leave from the the conference center. The buses will return you to Crans-Montana between 11:00 PM and 12:00 AM, ensuring a smooth and comfortable journey.

Speaker : Silvie Švarcová (Czech Academy of Sciences, Czech Republic) 

Hidden, Unknown, Unexpected: Unlocking Provenance, Technology and Degradation in Painted 
Artworks by X-ray Powder Diffraction

Chair : Petr Bezdička (Czech Academy of Sciences, Czech Republic)

MS01

• MS01P01 L. Adami (University of Ferrara, Italy) Rietveld Structural Analysis of Tl⁺-Exchanged K-L Zeolite from Powder Diffraction Data 
• MS01P02 L. Androš Dubraja (Ruđer Bošković Institute, Zagreb, Croatia) Correlating crystalline structure of LaCoO3 perovskites with the photocatalytic degradation of cefixime
• MS01P03 N. Audebrand (INSA Rennes, France) Cations localisation within the pores of the crystal structure of a terbium-based luminescent MOF as a chemical sensor
• MS01P04 E. Batisai (University of Venda, Thohoyandou, South Africa) Investigating the effect of the metal ion in carbon dioxide sorption in flexible isostructural metal–organic frameworks
• MS01P05 R. J. Cernik (University of Manchester, UK) Probing the Entropic Stabilization of High-Entropy Lanthanide Oxysulfates
• MS01P06 C. F. Eugenio (Ruhr-Universität, Germany and Universidad de los Andes, Colombia) Structure and magnetism of non-equimolar compositionally complex oxides
• MS01P07 T. Grgurić (Ruđer Bošković Institute, Zagreb, Croatia) Role of liquid in cocrystallization of 2,2’-bipyridine with salicylic and anthranilic acid  
• MS01P08 M. Jurić (Ruđer Bošković Institute, Zagreb, Croatia) Effect of temperature on structural properties and photocatalytic performance of Ni- and Mn-doped LaCoO3
• MS01P09 D. Kuznetsov (ETH Zürich, Switzerland) Lattice oxygen coupling during water oxidation on an oxide electrocatalyst probed by X-ray and neutron techniques
• MS01P10 P. N. Lekshmi (University of Porto, Portugal) Structural Evolution and Uniaxial Negative Thermal Expansion in RbNdTa₂O₇
• MS01P11 J. J. B. Levinsky (University of Edinburgh, UK) The Role of Hydrogen Bond Competition in the Colossal Barocaloric Response of Choline-based Plastic Crystals
  
• MS01P12 K. Lisac (Ruđer Bošković Institute, Zagreb, Croatia) Novel topologies of zinc imidazolate (ZnIm2) prepared by mechanochemistry 
• MS01P13 V. Martinez ( Ruđer Bošković Institute, Zagreb, Croatia) Liquid additive directed mechanosynthesis of copper (II) based Ruddlesden-Popper perovskites
  
• MS01P14 P. P. Mazzeo (University of Parma, Italy) Mechanochemistry-Accessed MOF Polymorphism Revealed by an Integrated 3DED/DFT-Assisted Rietveld Analysis
• MS01P15 J.A.O. Neto (Universidade Federal de Minas Gerais, Brazilia) Structural and Electrochromic Properties of IR-MOF-74 III Thin Films on Functionalized FTO Substrates
• MS01P16 K. Okyere (KNUST, Kumasi, Ghana) Agro-waste-derived functional materials for dye removal: Cocoa nib shell functionalized gum ghatti grafted poly (acrylamide-co-acrylic acid) 
• MS01P17 E. Petrović Hađar (Ruđer Bošković Institute, Zagreb, Croatia) Thermo-mechanochemistry towards new MOF-74 derivatives 
• MS01P18 H.S. Rahimi Mosafer (Institute of Physics,Warsaw, Poland) Solubility limit and thermostructural properties of new kagome material
• MS01P19 D. Terebenec (EMPA,Dübendorf, Switzerland)  Short-range atomic structure of Pd40Cu30Ni10P20 metallic glass: insights from Xray pair distribution function analysis in bulk and thin films 
• MS01P20 M. Toku (Kwame Nkrumah University of Science and Technology, Kumasi, Ghana and Accra Technical University, Accra, Ghana) Pristine Amorphous Silica Xerogel inclusion in Limestone Calcined Clay Cement (LC3) production
• MS01P21 S. Welzmiller (Thermo Fisher Scientific, Cheseaux-sur-Lausanne, Switzerland) Digging into different symmetries in crowded systems: C3S, C2S, C3A and all the polymorphs 
• MS01P22 A. A. White (Ben Gurion University of the Negev, Beer Sheva, Israel) Exploring Structural Properties of the Al-Mn-Ni based φ Phase 
• MS01P23 K. F. Würzer (university of Zürich, Switzerland) Selective Synthesis of Cobalt Oxo Cubane Polymorphs
• MS01P24 Y. Xu (Ruđer Bošković Institute, Zagreb, Croatia) Mechanochemical synthesis of biocompatible metal-organic frameworks and guest encapsulation

MS02

• MS02P01 S. Bette (Max Planck Institute for Solid State Research, Stuttgart, Germany) CO2 and H2O sorption induced bulk-phase changes of CALF-20 captured using in situ laboratory X-ray powder diffraction 
• MS02P02 D. Bonavia (PSI, Villigen, Switzerland) The new Debye beamline at SLS2.0: a versatile operando platform for X-ray scattering and X-ray absorption spectroscopy
• MS02P03 S. Burazer (Ruđer Bošković Institute, Zagreb, Croatia) Operando XRD Investigation Towards Industrially Relevant Battery Configurations Using the DANOISE Cell 
• MS02P04 E. Díaz-Acevedo (Universidad de Málaga, Spain) In-situ hydration studies of PC: a joint laboratory powder diffraction (MoKα1) and calorimetry approach
• MS02P05 F. Fauth (CELLS-ALBA Synchrotron, Barcelona, Spain) MSPD : 12 years of SXRPD on Operando Batteries at ALBA, MSPD2 to come
• MS02P06 F. H. Gjørup (Aarhus University, Denmark and MAX IV Laboratory, Lund, Sweden) A(nother) file format? A standardized format for large azimuthally integrated area detector data
• MS02P07 D. S. Gonçalves (LNLS, Brazilian Center for Research in Energy and Materials, Brazil) A High-Pressure Capillary Reactor for In Situ and Operando Powder X-Ray Diffraction: Design and Proof-of-Concept Performance
• MS02P08 G. Guerrero-Muñoz (Universidad de Málaga, Spain) In situ hydration studies of C3S: a joint laboratory powder diffraction (MoKα1) and calorimetry approach
• MS02P09 K. Hibino (Rigaku Corporation, Japan)   Temperature‑Dependent Crystallization Behavior of Natural Rubber during Stretching Studied by In‑situ WAXS
• MS02P10 J. Jacobs (Martin-Luther-Universität Halle-Wittenberg, Germany) A simple Capillary Reactor to Study Solid/Solid and Solid/Gas Reactions in the Lab by in situ XRD with Coupled Mass Spectrometry (XRD-MS)
• MS02P11 G. Maranini  (University of Pavia, Italy)  In-situ High-Resolution Synchrotron XRD study of Temperature Phase evolution in (Mg,Co,Ni,Zn)1-xCuxO high entropy system
• MS02P12 M. J. Marks (University of Copenhagen, Denmark) Multimodal Operando XRD, PDF and XAS Reveal the Structural Evolution of Layered Ni OER Catalysts
• MS02P13 K. Marshall (Swiss-Norwegian beamlines, ESRF, France) Science with combined scattering and spectroscopy experiments on BM31 at SNBL
• MS02P14 C. McMonagle (SNBL at ESRF, Grenoble, France) A new sapphire capillary cell: a moderate pressure cell for powder diffraction at The Swiss- Norwegian Beamlines at ESRF
• MS02P15 L. F. Pedersen (University of Copenhagen, Denmark) Tracking and modelling the in situ formation of NiCo layered double hydroxides using pair distribution function analysis
• MS02P16 B. Puhr (Anton Paar GmbH, Graz, Austria) In Situ and Operando X-Ray Diffraction Under Non-Ambient Conditions: Recent Application Examples
• MS02P17 S. Punke (University of Copenhagen, Denmark) The electrochemical oxidation of Pt nanocatalysts – an operando X-ray scattering study 
• MS02P18 R. Rae (University of Edinburgh, UK) Understanding the Dehydration and Rehydration Pathway of Calcium Monosulfoaluminate
• MS02P19 A. Shlyaykher (Philipps University Marburg, Germany) Polymorphism of Tl[ChCN] (Ch=O, S, Se) 
• MS02P20 A. Sleptsova (Max Planck Institute for Solid State Research, Stuttgart, Germany ) Breathing behaviour of CALF-20 MOF during gas sorption: in situ XRPD study 
• MS02P21 V. Smith (Bruker AXS SE, Karlsruhe Germany) Investigating the Structural Response of the CAU-64 Family of Compounds to Temperature and Humidity Through Combined Laboratory Single-Crystal and Powder Diffraction Studies
• MS02P22 E. Solé Chaos (University of Copenhagen, Denmark) Synthesis and time-resolved studies of the stability of LaMO3 perovskites in acid
• MS02P23  J. Thomas-Hunt (Aarhus University, Denmark)   The Fast Formation of Yttrium Iron Garnet: an In-Situ Study of Sol-Gel Synthesis
• MS02P24 J. Volný (Advacam, Prague, Czech Republic) Energy dispersive X-ray diffraction in laboratory conditions using 2D photon counting detector 
• MS02P25 Q. Zhang (ETH Zürich, Switzerland) Unravelling the Dynamic Reconstruction of PdIn Intermetallic Nanoparticles during CO2 Hydrogenation to Methanol by Operando XRD, PDF and XAS 

MS08

• MS08P01 E. Bervas (PSI, Villigen, Switzerland and Swiss Nanoscience Institute, Basel, Switzerland) Re-explaining Heavy-Fermion Magnetism through Crystallography
• MS08P02 M. Islam (PSI, Villigen, Switzerland and Zürich University, Switzerland) Shastry-Sutherland Compound ErB4 – a Potential Spin Supersolid Candidate  
• MS08P03 E. Kislitsinaa (Maastricht University, The Netherlands) Combined X-ray and Neutron Diffraction investigation of multimetallic and High-Entropy transition metal Phosphates
• MS08P04 E. Mégroz (University of Fribourg, Switzerland) SANS-Guided Design of Responsive Microemulsions
• MS08P05 N. Paul (Technische Universität München, Germany) Neutron diffraction reveals insights into degradation mechanisms in Co-free batteries
• MS08P06 M.T. Pelly (University of St Andrews, UK) Exploiting symmetry-adapted structural distortions for electronic singularity engineering in Sr3Ru2O7
• MS08P07 I. Plokhikh (Dortmund University, Germany) Magnetic Ground State of Bilayer Nickelates La3Ni2O7 and La2PrNi2O7 via Neutron Diffraction
• MS08P08 E. Pomjakushina (PSI, Villigen, Switzerland) Materials with possible novel quantum states with RMX structure-type: crystal growth and study
• MS08P09 D. I. Walicka (PSI, Villigen, Switzerland) Investigation of the magnetic structure of EuCu9Sn4 via powder neutron diffraction
• MS08P10 C.-E. Zhang (Tamkang University, New Taipei City, Taiwan) Study of the honeycomb lattice material (Mn0.5Ni0.5)2Mo3O8

MS12

• MS12P01 M. Abdellatief (Diamond Light Source, UK) Capabilities and Upgrades of the I15 Beamline at Diamond Light Source for XRD at Extreme Conditions 
• MS12P02 M. C. Kokkinidou (Oxford Cryosystems Ltd, UK)  Versatile cryogenic sample exchange with the Phenix Front Loader: applications from physics and chemistry of materials to studying planetary ices 
• MS12P03 T. Donatz (DECTRIS AG, Switzerland) PILATUS4 CdTe Detectors: Enabling Sub-Millisecond Synchrotron-Based In-situ Studies under Extreme Conditions 
• MS12P04 E. Gutiérrez-Fernández (ESRF, Grenoble, France) Correcting Parallax Effects in X-ray Area Detectors: A Novel Integral Method for Enhanced Peak Position in pyFAI
• MS12P05 N. Lefeld (DESY, Germany) Overview and Developments at the High-Energy Beamline P21.2, Petra III, DESY

Co-Chairs : Mogens Christensen, Romain Sibille

This microsymposium will be dedicated to all aspects of the research involving neutron diffraction and scattering, across all areas of materials science and beyond. It will range from the methodological advances through reports on interesting structures to their applications. For the development of new materials, the knowledge of fundamental properties from the atomic to the mesoscale structure is of crucial importance in many areas of today's technologies. The function of integrated materials widely depends on the crystalline structure and modifications of that structure during application. All types of studies using neutrons are welcomed such as light elements localization, magnetic scattering, scattering contrast enhancement e.g. for material systems in biomedical applications, small angle scattering etc. 

10:00-10:30 V. Pomjakushin (CNM, PSI, Switzerland) Powder neutron diffraction on topological magnets

10:30-11:00 A. S. Gibbs (University of St Andrews, UK and ISIS, UK) Magnetism and chirality in complex osmates

11:00-11:15  M. T. Pelly (University of St Andrews) Exploiting symmetry-adapted structural distortions for electronic singularity engineering in Sr3Ru2O7

11:15-11:30 D.J. Gawryluk (CNM, PSI, Switzerland) Magnetism-Induced Symmetry Breaking in YNiO₃ Across the Néel Transition Revealed by Powder Diffraction

11:30-11:45 C.A. Kirk (University of Edinburgh, UK) Sustainable Approaches to Uranium Remediation: Insights from Neutron Powder Diffraction