Workshop on Basic Rietveld Refinement

Lectures

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Guest lecture 1: Prof. T. N. Guru Row,

Professor, SSCU, IISc, Bangalore

"Basics of X-ray diffraction: From symmetry to structure determination"

Lecture 1: "Discussion on construction, working, datacollection and initial data analysis technique involved in x-ray diffraction"

Lecture 2: "General Introduction to the Programs of the FullProf Suite"

Guest lecture 2: Dr. N. Vijayan,

Senior Scientist, CSIR - National Phyiscs Lab., New Delhi

"Role of powder X-ray diffraction technique for the characterization of materials"

Lecture 3: "Introduction to the Rietveld Refinement -mathematical description of the powder diffraction patterns, peak shapes,contribution to peak broadenings"

Lecture 3.1: "The Rietveld Method" by Juan Rodriguez-Carvajal, ILL, Grenoble, France.

Step-by-Step procedure, few tips and tricks

1. Using FullProf for beginners
2. Description of the pcr file
3. Profile or Le-bail or Powley Fitting
4. Exporting final refinement plot

Other useful information and links:

1. Fullprof Suite website:

https://www.ill.eu/sites/fullprof/php/downloads.html

2. To practice Rietveld on different structures

https://community.dur.ac.uk/john.evans/topas_workshop/pcg_workshop_menu.htm

3. QualX:

http://www.ba.ic.cnr.it/softwareic/qualx/introduction/starting-soon-with-qualx/

J. Appl. Cryst. (2015). 48, 598-603 https://doi.org/10.1107/S1600576715002319

Database for qualx

http://www.ba.ic.cnr.it/softwareic/qualx/powcod-download/

4. SARah Representational Analysis

http://fermat.chem.ucl.ac.uk:8080//Site/Welcome.html

5. The Cambridge Structural Database (CSD)

https://www.ccdc.cam.ac.uk/solutions/csd-system/components/csd/

Gallery