Rietveld Refinement Practical Powder Diffraction Pattern Analysis using TOPAS

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

• Publisher: de Gruyter
• Year: 2019
• Tongue: English
• Leaves: 349
• 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.
The book is also a basic manual for TOPAS with many examples and code lines.

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.

✦ Table of Contents

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