Identification of and symmetry computation for crystal nets.
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.
Delgado-Friedrichs
Olaf
O
Department of Computer Science, University of Tübingen, D-72076, Tübingen, Germany. delgado@infomatik.uni-tuebingen.de
O'Keeffe
Michael
M