Rietveld Refinement: Practical Powder Diffraction Pattern Analysis using TOPAS

✍ Scribed by Robert E. Dinnebier; Andreas Leineweber; John S.O. Evans

• Publisher: De Gruyter
• Year: 2018
• Tongue: English
• Leaves: 348
• Category: Library

✦ Synopsis

Almost 50 years have passed since the famous papers of Hugo Rietveld from the late sixties where he describes a method for the refinement of crystal structures from neutron powder diffraction data. Soon after, the potential of the method for laboratory X-ray powder diffraction was discovered. Although the method is now widely accepted, there are still many pitfalls in the theoretical understanding and in practical daily use.

This book closes the gap with a theoretical introduction for each chapter followed by a practical approach.The flexible macro type language of the Topas Rietveld software can be considered as the defacto standard.

Theory and practice of the Rietveld method for structure refinement from powder diffraction data. Step by step tutorials on all aspects of Rietveld refinement.

✦ Table of Contents

Preface
Contents
1. The powder diffraction method
2. The Rietveld method
3. Structure independent fitting
4. Peak shapes: Instrument o microstructure
5. Quantitative phase analysis
6. Restraints, constraints and rigid bodies
7. Solving crystal structures using the Rietveld method
8. Symmetry mode refinements
9. Magnetic refinements
10. Stacking disorder
11. Total scattering methods
12. Multiple data sets
13. Appendix: Mathematical basics
Index