Extension of Hall symbols of crystallographic space groups to magnetic space groups

Author:

González-Platas Javier,Katcho Nebil A.,Rodríguez-Carvajal Juan

Abstract

The Hall symbols for describing unambiguously the generators of space groups have been extended to describe any setting of the 1651 types of magnetic space groups (Shubnikov groups). A computer program called MHall has been developed for parsing the Hall symbols, generating the full list of symmetry operators and identifying the transformation to the standard setting.

Funder

Agencia Estatal de Investigación

Horizon 2020 Framework Programme

Publisher

International Union of Crystallography (IUCr)

Subject

General Biochemistry, Genetics and Molecular Biology

Reference7 articles.

1. Seitz symbols for crystallographic symmetry operations

2. González-Platas, J., Katcho, N. A. & Rodriguez-Carvajal, J. (2021). CrysFML08: a Modern Fortran Library for Crystallography. Unpublished.

3. Space-group notation with an explicit origin

4. Hall, S. R. & Grosse-Kunstleve, R. W. (2010). International Tables for Crystallography, Vol. B, Reciprocal Space, 2nd online ed., Section A1.4.2.3, pp. 127-129. Chester: International Union of Crystallography.

5. Litvin, D. B. (2013). Magnetic Space Group Types, IUCr e-book. https://www.iucr.org/publ/978-0-9553602-2-0.

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