晶体网络的识别与对称性计算
Identification of and symmetry computation for crystal nets.
作者信息
Delgado-Friedrichs Olaf, O'Keeffe Michael
机构信息
Department of Computer Science, University of Tübingen, D-72076, Tübingen, Germany.
出版信息
Acta Crystallogr A. 2003 Jul;59(Pt 4):351-60. doi: 10.1107/s0108767303012017. Epub 2003 Jun 26.
PMID:12832814
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.
摘要
本文提出了精确的方法来确定两个周期性网络是否组合同构，并计算网络的全组合对称群。结果发现，对于一大类网络，包括所有已知的沸石网络和大多数其他已知的晶体网络，这个群可以实现为一个晶体学空间群。
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