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Transformational space-group symbols

Transformational space-group symbols Ambiguities present in space-group construction from the Hermann-Mauguin (H-M) symbols enforce the use of other space-group designations or H-M symbol modifications. Therefore, a transformational space-group symbol (TSG) composed of the well defined standard space-group identifier, an axis-system transformation and origin shift is proposed as a symbol of any space-group description. The first description given in International Tables for Crystallography (1983), Vol. A, Space-Group Symmetry, edited by Th. Hahn. Dordrecht: Reidel (ITA83) or the second one for space groups with two origins is suggested here as a reference description. For standard descriptions based on the ITA generators and compiled list of the TSG symbols, all conventional space-group settings listed in ITA83 can be reconstructed. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A: Foundations of Crystallography International Union of Crystallography

Transformational space-group symbols

Transformational space-group symbols


Abstract

Ambiguities present in space-group construction from the Hermann-Mauguin (H-M) symbols enforce the use of other space-group designations or H-M symbol modifications. Therefore, a transformational space-group symbol (TSG) composed of the well defined standard space-group identifier, an axis-system transformation and origin shift is proposed as a symbol of any space-group description. The first description given in International Tables for Crystallography (1983), Vol. A, Space-Group Symmetry, edited by Th. Hahn. Dordrecht: Reidel (ITA83) or the second one for space groups with two origins is suggested here as a reference description. For standard descriptions based on the ITA generators and compiled list of the TSG symbols, all conventional space-group settings listed in ITA83 can be reconstructed.

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References (12)

Publisher
International Union of Crystallography
Copyright
Copyright (c) 2007 International Union of Crystallography
Subject
space-group descriptions, space-group symbol
ISSN
0108-7673
eISSN
1600-5724
DOI
10.1107/S0108767306046319
pmid
17179609
Publisher site
See Article on Publisher Site

Abstract

Ambiguities present in space-group construction from the Hermann-Mauguin (H-M) symbols enforce the use of other space-group designations or H-M symbol modifications. Therefore, a transformational space-group symbol (TSG) composed of the well defined standard space-group identifier, an axis-system transformation and origin shift is proposed as a symbol of any space-group description. The first description given in International Tables for Crystallography (1983), Vol. A, Space-Group Symmetry, edited by Th. Hahn. Dordrecht: Reidel (ITA83) or the second one for space groups with two origins is suggested here as a reference description. For standard descriptions based on the ITA generators and compiled list of the TSG symbols, all conventional space-group settings listed in ITA83 can be reconstructed.

Journal

Acta Crystallographica Section A: Foundations of CrystallographyInternational Union of Crystallography

Published: Dec 19, 2006

Keywords: space-group descriptions ; space-group symbol .

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