Rietveld Refinement: Practical Powder Diffraction Pattern Analysis using TOPAS

Robert E. Dinnebier; Andreas Leineweber; John S.O. Evans

Published by De Gruyter 2019

Rietveld Refinement

Practical Powder Diffraction Pattern Analysis using TOPAS

Robert E. Dinnebier , Andreas Leineweber and John S.O. Evans

In the series De Gruyter STEM

https://doi.org/10.1515/9783110461381

Overview
Contents

About this book

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.

Author / Editor information

Robert Dinnebier, MPI for Solid State Res., Ger.; Andreas Leineweber, TU Bergakademie Freiberg, Ger.; John S.O. Evans, Durham Univ., UK.

Reviews

"Dinnebier, Leineweber and Evans have done an outstanding job of explaining the fundamentals of the method and summarizing the exciting new developments. With this book, the reader can find answers to two questions: what information is stored in a powder diffraction pattern, and how to extract that information using TOPAS. I particularly like this combination of theory and practice and I wholeheartedly recommend this excellent read to any user of the powder diffraction method."
Tomce Runcevski in: Journal of Applied Crystallography 52 (2019), https://doi.org/10.1107/S1600576719011178

Topics

Frontmatter Publicly Available Download PDF	I
Preface Publicly Available Download PDF	V
Contents Publicly Available Download PDF	XI
1. The powder diffraction method Requires Authentication Unlicensed Licensed Download PDF	1
2. The Rietveld method Requires Authentication Unlicensed Licensed Download PDF	16
3. Structure independent fitting Requires Authentication Unlicensed Licensed Download PDF	89
4. Peak shapes: Instrument o microstructure Requires Authentication Unlicensed Licensed Download PDF	97
5. Quantitative phase analysis Requires Authentication Unlicensed Licensed Download PDF	131
6. Restraints, constraints and rigid bodies Requires Authentication Unlicensed Licensed Download PDF	151
7. Solving crystal structures using the Rietveld method Requires Authentication Unlicensed Licensed Download PDF	183
8. Symmetry mode refinements Requires Authentication Unlicensed Licensed Download PDF	196
9. Magnetic refinements Requires Authentication Unlicensed Licensed Download PDF	218
10. Stacking disorder Requires Authentication Unlicensed Licensed Download PDF	237
11. Total scattering methods Requires Authentication Unlicensed Licensed Download PDF	253
12. Multiple data sets Requires Authentication Unlicensed Licensed Download PDF	269
13. Appendix: Mathematical basics Requires Authentication Unlicensed Licensed Download PDF	296
Index Requires Authentication Unlicensed Licensed Download PDF	328

(Deutsch)

Language: English
Publisher: De Gruyter
Audience: Professionals, Researchers and Students in Physics, Crystallography, Chemistry and Material Sciences.
Pages
- Front matter: 16
- Main content: 331
Illustrations
- Illustrations: 20
- Coloured Illustrations: 10

eBook

Published: December 17, 2018
ISBN: 9783110461381

Paperback

Published: December 17, 2018
ISBN: 9783110456219