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Identification of and symmetry computation for crystal nets
Olaf Delgado-Friedrichs1, Michael O'Keeffe
1Department of Computer Science, University of Tübingen, D-72076, Tübingen, Germany. delgado@infomatik.uni-tuebingen.de
Abstract:
Exact methods are presented to determine whether two periodic nets are combinatorially isomorphic and to compute the full combinatorial symmetry group of a net. It is found that for a large class of nets, which includes all known zeolite nets and most other known crystal nets, this group can be realized as a crystallographic space group.