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Parametric Rietveld refinement

Stinton, G.W.; Evans, J.S.O.

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G.W. Stinton


In this paper the method of parametric Rietveld refinement is described, in which an ensemble of diffraction data collected as a function of time, temperature, pressure or any other variable are fitted to a single evolving structural model. Parametric refinement offers a number of potential benefits over independent or sequential analysis. It can lead to higher precision of refined parameters, offers the possibility of applying physically realistic models during data analysis, allows the refinement of `non-crystallographic' quantities such as temperature or rate constants directly from diffraction data, and can help avoid false minima.


Stinton, G., & Evans, J. (2007). Parametric Rietveld refinement. Journal of Applied Crystallography, 40(1), 87-95.

Journal Article Type Article
Publication Date Feb 1, 2007
Deposit Date May 11, 2007
Publicly Available Date May 19, 2010
Journal Journal of Applied Crystallography
Print ISSN 0021-8898
Electronic ISSN 1600-5767
Publisher International Union of Crystallography
Peer Reviewed Peer Reviewed
Volume 40
Issue 1
Pages 87-95
Keywords Powder diffraction, Non-ambient, Rietveld refinement.


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