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Intensitätsstatistik für Strukturen mit Überstruktureffekten

Published/Copyright: August 25, 2010
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Abstract

It is shown that the mean expected X-ray intensities of main and superstructure reflexions can be described by different functions of sin 2π|h| · |δ|/(2π|h| · |δ| when the intensities are obtained from a crystal structure in which all atoms fullfil one or more pseudotranslations approximately. In these formulas |δ| is a measure of the mean deviations of the atoms from their ideal positions. If the pseudotranslations are not taken into account in the normalising procedure, similar functions for the expected mean E2-values can be derived, from which the mean values of E2 depending on |δ| are obtained by integration. The relations to formulas published earlier are discussed. It can furthermore be demonstrated that real structures exist in which the pseudotranslations can not be recognized by the different mean intensities of main and superstructure reflexions but by their variation along |h|.

Published Online: 2010-08-25
Published in Print: 1989
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