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Structure Refinements in Chemistry and Physics. A Comparative Study Using the Rietveld and the Two- Step Method

Published online by Cambridge University Press:  06 March 2019

G. Will,
E. Jansen and
W. Schäfer
G. Will
Affiliation:
Mineralogical Institute of Bonn University Poppelsdorfer Schloβ, D-5300 Bonn, West Germany
E. Jansen
Affiliation:
Mineralogical Institute of Bonn University Poppelsdorfer Schloβ, D-5300 Bonn, West Germany
W. Schäfer
Affiliation:
Mineralogical Institute of Bonn University Poppelsdorfer Schloβ, D-5300 Bonn, West Germany
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Extract

Two strategies are at present commonly used in studying and refining crystal structures from powder diffraction data: the total pattern refinement proposed by Rietveid (1969) and the two-step method originally proposed and applied by Will (Will et al., 1965). The latter one works by separating-the intensity determination of the individual peaks from the actual structure refinement, structure analysis or any structural calculation (tor example based on line broadening). Both methods have their merits, and their drawbacks.

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Type
Research Article
Information
Advances in X-Ray Analysis , Volume 33: Thirty-Eighth Annual Conference on Applications of X-ray Analysis, July 31 - August 4, 1989 , 1989, pp. 261 - 268
Copyright
Copyright © International Centre for Diffraction Data 1989

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References

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