Maximal independence and symmetry in crystal chemistry of natural tectosilicates.

maximal independent sets nets quotient graphs zeolites

Journal

Acta crystallographica. Section A, Foundations and advances
ISSN: 2053-2733
Titre abrégé: Acta Crystallogr A Found Adv
Pays: United States
ID NLM: 101620182

Informations de publication

Date de publication:
01 Jan 2024
Historique:
medline: 13 11 2023
pubmed: 13 11 2023
entrez: 13 11 2023
Statut: aheadofprint

Résumé

Löwenstein's avoidance rule in aluminosilicates is reinterpreted on the basis of the fourth Pauling rule. It is shown that avoidance of Si-O-Si bridges may account for avoidance of Al-O-Al bridges. In view of this interpretation, it is proposed that the most favourable distributions of cations entering in substitution of silicon in the framework are associated to maximal independent sets of the respective 3-periodic nets. Among all possible solutions, only those with maximal symmetry are realized. The applicability of the concept is demonstrated for a few natural tectosilicates, which have been analysed through the prism of their labelled quotient graph.

Identifiants

pubmed: 37955516
pii: S2053273323008665
doi: 10.1107/S2053273323008665
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Auteurs

Montauban Moreira de Oliveira (M)

Instituto de Ciências Exatas, Matemática Pura, Universidade Federal Rural do Rio de Janeiro, P1-90-4, Seropédica, Rio de Janeiro 23890-000, Brazil.

Jean Guillaume Eon (JG)

Instituto de Química, Universidade Federal do Rio de Janeiro, Avenida Athos da Silveira Ramos, 149 Bloco A, Cidade Universitária, Rio de Janeiro 21941-909, Brazil.

Classifications MeSH