A probabilistic approach to space-group determination from powder diffraction data

被引：120

作者：

Markvardsen, AJ ^{[1
]}

David, WIF ^{[1
]}

Johnson, JC ^{[1
]}

Shankland, K ^{[1
]}

机构：

[1] Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England

来源：

ACTA CRYSTALLOGRAPHICA SECTION A | 2001年 / 57卷

关键词：

D O I：

10.1107/S0108767300012174

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

An algorithm for the determination of the space-group symmetry of a crystal from powder diffraction data, based upon probability theory, is described. Specifically, the relative probabilities of different extinction symbols are assessed within a particular crystal system. In general, only a small number of extinction symbols are relatively highly probable and a single extinction symbol is often significantly more probable than any other. Several examples are presented to illustrate this approach.

引用

页码：47 / 54

页数：8

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