Cluster Self-Organization of Intermetallic Systems: Cs6 and Cs4 Metal Clusters and Cs11O3 Metal–Oxygen Cluster for the Self-Assembly of the (Cs4)(Cs6)(Cs11O3) Crystal Structure
- Autores: Shevchenko V.1, Blatov V.2, Ilyushin G.2,3
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Afiliações:
- Grebenshchikov Institute of Silicate Chemistry
- International Research Center for Theoretical Materials Science
- Federal Research Center Crystallography and Photonics
- Edição: Volume 44, Nº 5 (2018)
- Páginas: 375-380
- Seção: Article
- URL: https://journals.rcsi.science/1087-6596/article/view/216663
- DOI: https://doi.org/10.1134/S1087659618050164
- ID: 216663
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Resumo
A geometric and topological analysis of the Cs21O3 metal oxide with the minimal known oxygen content, which is formed from an oxygen-containing melt of metallic Cs, is performed. To identify clusters that are precursors of the crystal structures, special algorithms (ToposPro software package) for decomposing structural graphs into cluster substructures are used. The following precursor clusters involved in the self-assembly of the crystal structures are determined: Cs11O3 three-octahedral clusters; Cs6 octahedral clusters; and Cs4 tetrahedral clusters. The symmetry and topological code of the processes of self-assembly of crystal structures from precursor clusters is reconstructed in the following form: primary chain → microlayer → microframework.
Sobre autores
V. Shevchenko
Grebenshchikov Institute of Silicate Chemistry
Autor responsável pela correspondência
Email: shevchenko@isc.nw.ru
Rússia, St. Petersburg, 199034
V. Blatov
International Research Center for Theoretical Materials Science
Email: shevchenko@isc.nw.ru
Rússia, Samara, 443100
G. Ilyushin
International Research Center for Theoretical Materials Science; Federal Research Center Crystallography and Photonics
Email: shevchenko@isc.nw.ru
Rússia, Samara, 443100; Moscow, 119333