From space to superspace and back: Superspace Group Finder

• Published in: Journal of Applied Crystallography, vol. 41, p. 1182-1186
• Publication date: 2008

The symmetry of a commensurately modulated crystal structure can be described in two different ways: in terms of a conventional three-dimensional space group or using the superspace concept in (3 + d) dimensions. The three-dimensional space group is obtained as a real-space section of the (3 + d) superspace group. A complete network was constructed linking (3 + 1) superspace groups and the corresponding three-dimensional space groups derived from rational sections. A database has been established and is available at http://superspace.epfl.ch/finder/. It is particularly useful for finding common superspace groups for various series of modular (`composition-flexible') structures and phase transitions. The use of the database is illustrated with examples from various fields of crystal chemistry.

Keywords: superspace approach ; symmetry groups ; commensurate modulation ; databases ; Superspace Group Finder

Reference

• LCR-ARTICLE-2009-002
• doi:10.1107/S0021889808034390
• View record in Web of Science

Record created on 2009-01-28, modified on 2012-03-21