International Tables for Crystallography

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Powder diffraction peak profiles
R. B. Von Dreele. International Tables for Crystallography (2019). Vol. H, ch. 3.3, pp. 263-269  [ doi:10.1107/97809553602060000948 ]

Abstract

A powder diffraction experiment yields a succession of peaks that satisfy Bragg's law for the reflection sets associated with each phase in the sample. Their shapes depend on source, instrument and sample contributions. This chapter discusses these contributions to the observed peak shapes and provides mathematical models suitable for use in single-peak fitting and Rietveld refinement. These functions account for both their shape and position in constant wavelength X-ray and neutron experiments as well as X-ray energy-dispersive and neutron time-of-flight measurements.


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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.