International
Tables for
Crystallography
Volume H
Powder diffraction
Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk

International Tables for Crystallography (2018). Vol. H, ch. 3.6, pp. 288-303
https://doi.org/10.1107/97809553602060000951

Chapter 3.6. Whole powder pattern modelling: microstructure determination from powder diffraction data

M. Leonia*

aDepartment of Civil, Environmental and Mechanical Engineering, University of Trento, via Mesiano 77, 38123 Trento, Italy
Correspondence e-mail: Matteo.Leoni@unitn.it

Footnotes

1 Some small errors are present in some versions of the WPPM macros implemented in TOPAS. An example of a corrected macro for a lognormal distribution of spheres is given in the supporting information. The implementation using the mean and variance of the distribution versus the lognormal mean and variance is straightforward. Please refer to Chapter 5.1[link] for corrected versions of the Fourier coefficients and ancillary equations that should be present in the macros.