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On the reliability of the 2 relation. II. Artificial structures in P21/c

On the reliability of the 2 relation. II. Artificial structures in P21/c It is shown that for structures in which the coordinates of atoms have been randomly generated, the probability formula gives an underestimate of the experimental probability of the 2 relation. Concentration of atoms in planes increases the number of reliable triplet sign relations. Although the presence of a non-crystallographic centre of symmetry results in a larger number of triplet relations with high EHEKEH - K values, the percentage of failures is increased compared with random structures. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography International Union of Crystallography

On the reliability of the 2 relation. II. Artificial structures in P21/c

On the reliability of the 2 relation. II. Artificial structures in P21/c


Abstract

It is shown that for structures in which the coordinates of atoms have been randomly generated, the probability formula gives an underestimate of the experimental probability of the 2 relation. Concentration of atoms in planes increases the number of reliable triplet sign relations. Although the presence of a non-crystallographic centre of symmetry results in a larger number of triplet relations with high EHEKEH - K values, the percentage of failures is increased compared with random structures.

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1973 International Union of Crystallography
ISSN
0567-7394
DOI
10.1107/S0567739473001762
Publisher site
See Article on Publisher Site

Abstract

It is shown that for structures in which the coordinates of atoms have been randomly generated, the probability formula gives an underestimate of the experimental probability of the 2 relation. Concentration of atoms in planes increases the number of reliable triplet sign relations. Although the presence of a non-crystallographic centre of symmetry results in a larger number of triplet relations with high EHEKEH - K values, the percentage of failures is increased compared with random structures.

Journal

Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General CrystallographyInternational Union of Crystallography

Published: Nov 1, 1973

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