Rietveld Refinement

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

- Basics of powder diffraction
- The Rietveld formula
- Whole Powder Pattern Fitting (Pawley, LeBail, Rietveld)
- Concept of Convolution
- Deriving the instrumental resolution function
- Global versus local optimization
- Structure determination
- Fourier analysis
- Isotropic and anisotropic microstructural properties
- Rigid bodies, constraints, restraints
- Sequential versus parametric Rietveld refinement
- Symmetry and rotational modes
- Modelling stacking faults
- Quantitative phase analysis
- Determination of amorphous content
- Agreement factors
- Macro programming

"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