International Tables for Crystallography
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Rietveld refinement International Tables for Crystallography (2019). Vol. H, ch. 4.7, pp. 465-472 [ doi:10.1107/97809553602060000962 ] Abstract The Rietveld method fits structural, experimental and sample parameters in a combined model by minimizing the discrepancies between an observed and a computed powder-diffraction pattern. The method was developed for constant-wavelength neutron powder diffraction, but is now applied to all types of neutron and X-ray measurements, sometimes in combination. While the quality of Rietveld fits rarely competes with results from single-crystal structure determination, the method provides results with very rapid measurements, or that are otherwise unobtainable when representative single crystals are not available, and thus is widely used. Presented here is the mechanism used for fitting as well as reflection intensity computation, agreement factors used for Rietveld fitting and guidance on how to perform a Rietveld fit. |
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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.