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非晶体学网络:表征及分类的初步探索

Non-crystallographic nets: characterization and first steps towards a classification.

作者信息

Moreira de Oliveira Montauban, Eon Jean Guillaume

机构信息

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

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.

出版信息

Acta Crystallogr A Found Adv. 2014 May;70(Pt 3):217-28. doi: 10.1107/S2053273314000631. Epub 2014 Mar 12.

Abstract

Non-crystallographic (NC) nets are periodic nets characterized by the existence of non-trivial bounded automorphisms. Such automorphisms cannot be associated with any crystallographic symmetry in realizations of the net by crystal structures. It is shown that bounded automorphisms of finite order form a normal subgroup F(N) of the automorphism group of NC nets (N, T). As a consequence, NC nets are unstable nets (they display vertex collisions in any barycentric representation) and, conversely, stable nets are crystallographic nets. The labelled quotient graphs of NC nets are characterized by the existence of an equivoltage partition (a partition of the vertex set that preserves label vectors over edges between cells). A classification of NC nets is proposed on the basis of (i) their relationship to the crystallographic net with a homeomorphic barycentric representation and (ii) the structure of the subgroup F(N).

摘要

非晶体学(NC)网络是具有非平凡有界自同构的周期性网络。在通过晶体结构实现网络时,这种自同构与任何晶体学对称性都无关。结果表明,有限阶的有界自同构构成了NC网络(N,T)自同构群的一个正规子群F(N)。因此,NC网络是不稳定网络(在任何重心表示中都会出现顶点碰撞),反之,稳定网络是晶体学网络。NC网络的标记商图的特征是存在等电压划分(顶点集的一种划分,它在单元之间的边上保持标签向量)。基于(i)它们与具有同胚重心表示的晶体学网络的关系以及(ii)子群F(N)的结构,提出了NC网络的一种分类方法。

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