Identification of and symmetry computation for crystal nets

Olaf Delgado-Friedrichs; Michael O'Keeffe

doi:10.1107/S0108767303012017

Identification of and symmetry computation for crystal nets

Olaf Delgado-Friedrichs^*, Michael O'Keeffe

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

318 Citations (Scopus)

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.

Original language	English
Pages (from-to)	351-360
Number of pages	10
Journal	Acta Crystallographica Section A: Foundations of Crystallography
Volume	59
Issue number	4
DOIs	https://doi.org/10.1107/S0108767303012017
Publication status	Published - Jul 2003
Externally published	Yes

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title = "Identification of and symmetry computation for crystal nets",

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.",

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AB - 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.

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DO - 10.1107/S0108767303012017

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JO - Acta Crystallographica Section A: Foundations of Crystallography

JF - Acta Crystallographica Section A: Foundations of Crystallography

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Identification of and symmetry computation for crystal nets

Abstract

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