Modeling Self-Organization Processes in Crystal Forming Systems. Symmetry and Topology Codes of Cluster Self-Assembly of Crystal Structure of Na44Tl7 (Na6Tl)
- 作者: Shevchenko V.1, Blatov V.2, Ilyushin G.2,3
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隶属关系:
- Grebenshchikov Institute of Silicate Chemistry
- Samara Center for Theoretical Materials Science
- Federal Research Center Crystallography and Photonics
- 期: 卷 43, 编号 6 (2017)
- 页面: 521-529
- 栏目: Article
- URL: https://journals.rcsi.science/1087-6596/article/view/216234
- DOI: https://doi.org/10.1134/S1087659617060189
- ID: 216234
如何引用文章
详细
The geometrical and topological analysis of the crystal structure of intermetallide Na44Tl7 (Na6Tl, a = 24.154 Å, V = 14091.8 Å3, space group F-43m) is carried out. The algorithms of the combinatorial-topological analysis, which ensure the recovery of the symmetrical and topological code (program) of the cluster self-assembly of the crystal structure of an intermetallide, are developed. The topological type of the basic 3D network for two types of cluster precursors corresponds to a simple cubic 3D network Pc with CN = 6 and basic 2D network of type 44. There are eight cluster precursors in the unit cell: four K86 and four K50. The cluster precursor K86 made from 86 atoms is formed from eight icosahedra i-TlNa12 linked by the apices. The center of the cluster precursor K86 is at the position 4a (0, 0, 0) with the point symmetry g = –43m. The 50-atomic cluster precursor K50 consists of six i-TlNa12 icosahedra. The center of the cluster precursor K50 is in the partial position 4b (0, 0, 0) with the point symmetry g = –43m. The symmetrical and topological codes of the self-assembly of 3D structures from nanocluster precursors K86 and K50 are reconstructed in the following form: primary chain → microlayer → microframework.
作者简介
V. Shevchenko
Grebenshchikov Institute of Silicate Chemistry
编辑信件的主要联系方式.
Email: shevchenko@isc.nw.ru
俄罗斯联邦, St. Petersburg, 199034
V. Blatov
Samara Center for Theoretical Materials Science
Email: shevchenko@isc.nw.ru
俄罗斯联邦, Samara, 443011
G. Ilyushin
Samara Center for Theoretical Materials Science; Federal Research Center Crystallography and Photonics
Email: shevchenko@isc.nw.ru
俄罗斯联邦, Samara, 443011; Moscow, 119333