Nespolo Massimo, Souvignier Bernd, Stöger Berthold
Université de Lorraine, CNRS, CRM2, F54000 Nancy, France.
Faculty of Science, Mathematics and Computing Science, Institute for Mathematics, Astrophysics and Particle Physics, Radboud University, Postbus 9010, Nijmegen, GL 6500, The Netherlands.
Acta Crystallogr A Found Adv. 2020 May 1;76(Pt 3):334-344. doi: 10.1107/S2053273320000650. Epub 2020 Apr 2.
Modular structures are crystal structures built by subperiodic (zero-, mono- or diperiodic) substructures, called modules. The whole set of partial operations relating substructures in a modular structure build up a groupoid; modular structures composed of identical substructures are described by connected groupoids, or groupoids in the sense of Brandt. A general approach is presented to describe modular structures by Brandt's groupoids and how to obtain the corresponding space groups, in which only the partial operations that have an extension to the whole crystal space appear.
模块化结构是由亚周期性(零维、一维或二维)子结构(称为模块)构建的晶体结构。与模块化结构中的子结构相关的所有部分操作构成一个广群;由相同子结构组成的模块化结构由连通广群或布兰特意义下的广群来描述。本文提出了一种用布兰特广群描述模块化结构以及如何获得相应空间群的通用方法,其中只出现了那些能扩展到整个晶体空间的部分操作。