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research article

From space to superspace and back: Superspace Group Finder

Orlov, Ivan  
•
Palatinus, Lukas  
•
Chapuis, Gervais  
2008
Journal of Applied Crystallography

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.

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Type
research article
DOI
10.1107/S0021889808034390
Web of Science ID

WOS:000261004200025

Author(s)
Orlov, Ivan  
Palatinus, Lukas  
Chapuis, Gervais  
Date Issued

2008

Published in
Journal of Applied Crystallography
Volume

41

Start page

1182

End page

1186

Subjects

superspace approach

•

symmetry groups

•

commensurate modulation

•

databases

•

Superspace Group Finder

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCR  
Available on Infoscience
January 28, 2009
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/34448
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