Return on the 2023 edition of the school “X-ray Diffraction on powders and single crystals

Organized by several Parisian laboratories including the IPCM, the 2023 edition, which like the previous ones was aimed at Parisian PhD and post-doctoral students wishing to receive both theoretical and practical training in DRX on single crystals and/or powder, gathered 13 participants from February 1 to 3, 2023

During the first day, the trainees were able to express their expectations, and the trainers then explained their objectives. After a reminder of the basic notions of crystallography and diffraction (B. Baptiste, IMPMC), the participants immediately got into the heart of the matter with a single crystal XRD workshop that allowed them to understand the resolution of a simple structure in molecular chemistry from experimental data via the Olex2 software (L-M. Chamoreau, IPCM). The day ended with experimental demonstrations on the powder diffractometers of the Institute of Mineralogy, Physics of Materials and Cosmochemistry (IMPMC) and single crystals of the IPCM. 

During the second day, the trainees learned how to identify different crystal phases in a powder diffractogram (S. Nowak, ITODYS) using the peak indexing software (QualX²). The refinement of experimental powder diffractograms by the Rietveld method using the FullProf software was then presented by G. Rousse (Collège de France), as well as its applications for quantitative analysis, the study of crystallite size and shape or microstresses. 

The last day was dedicated to the experimental parameters to be adjusted during DRX measurements on powder and single crystals (J. Forté, IPCM) in order to launch a measurement in optimal conditions. A (more ?) advanced workshop on single crystal structure resolution was then proposed by L-M. Chamoreau (IPCM), during which the participants could approach the resolution of more complex crystallographic structures involving structural disorders, molecules on symmetry elements, the use of constraints or the determination of absolute configuration of organic chiral molecules. Finally, a last module presented other structural characterization techniques, when laboratory XRD does not fully meet the expectations (B. Baptiste and S. Nowak), such as: diffraction (neutron, electron, synchrotron XRD), scattering (SAXS, PDF) or X-ray absorption (XANES, EXAFS)

This training allowed me to discover new methodologies and techniques concerning DRX, which gave me ideas for future experiments. I recommend it!
Romain Gay, doctoral student at the Laboratoire de Chimie de la Matière Condensée in Paris, participating in this edition

A feeling shared by all participants and expressed at the end of the school during an assessment with the organizers.

See you in 2024 for the next edition of this school.
For more information, do not hesitate to contact
L-M. Chamoreau or J. Forté.
See you soon! 

Pedagogical team: B. Baptiste (IMPMC), S. Nowak (ITODYS), G. Rousse (Coll. de France), L-M. Chamoreau (IPCM) and J. Forté (IPCM).