This is an old revision of the document!


Rietveld Refinement: Practical Powder Pattern Analysis using TOPAS

A new text on Rietveld refinement using TOPAS co-authored by Robert Dinnebier, Andreas Leineweber and John Evans has just been published. This page will contain links to various input files and datasets for the examples in the book.

You can order at Amazon! or from De Gruyter

Data files and associated tutorials for each Chapter are given in the pages below. You can find all the .zip files with data and INP files at http://community.dur.ac.uk/john.evans/topas_book/.

Mathematica Scripts - Various chapters

Chapter 1 - The powder diffraction method

Chapter 2 - The Rietveld method

Chapter 3 - Structure independent fitting

Chapter 4 - Peak shapes Instrument * microstructure

Chapter 5 - Quantitative phase analysis

Chapter 6 - Restraints, constraints and rigid bodies

Chapter 7 - Solving crystal structures by the Rietveld method

Chapter 8 - Symmetry mode refinements

Chapter 9 - Magnetic refinements

Chapter 10 - Stacking disorder

Chapter 11 - Total scattering methods

Chapter 12 - Multiple data sets

Errata

The authors apologise for any errors that were inadvertantly made in the book. We will list any errors here.

P40, Table 2.2 - the monochromator angles for Mo-Ka1 radiation in Table 2.2 are incorrect. For Ge(111) the correct angle is 12.4 degrees; for Ge(220) the correct angle is 20.4 degrees.


Personal Tools