From space to superspace and back: Superspace Group Finder

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.