Maximal independence and symmetry in crystal chemistry of natural tectosilicates.

IF 1.9 4区材料科学 Q3 CHEMISTRY, MULTIDISCIPLINARY Acta Crystallographica Section A: Foundations and Advances Pub Date : 2024-01-01 DOI:10.1107/S2053273323008665

Montauban Moreira de Oliveira, Jean Guillaume Eon

引用次数: 0

Abstract

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.

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天然构造硅酸盐晶体化学的最大独立性和对称性。

在第四鲍林规则的基础上，重新解释了铝硅酸盐中Löwenstein的回避规则。结果表明，避免Si-O-Si桥可以解释Al-O-Al桥的避免。鉴于这一解释，我们提出在框架中取代硅进入的阳离子的最有利分布与各自的3周期网的最大独立集有关。在所有可能的解中，只有那些具有最大对称性的解才得以实现。通过标记商图的棱镜对几种天然构造硅酸盐进行了分析，证明了这一概念的适用性。

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来源期刊

Acta Crystallographica Section A: Foundations and Advances CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

2.60

自引率

11.10%

发文量

419

期刊介绍： Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials. The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial. The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.