Cluster Self-Organization of Intermetallic Systems: Cluster Precursors K3, K4, K5, K7, and K8 for the Self-Assembly of Lu66Te24-mC90, Te4Lu28-oC32, Lu3(TeLu3)Lu2-hP9, and Lu4Te4-cF8 Crystal Structures

V. Ya. Shevchenko; Шевченко В. Я.; G. D. Ilyushin; Илюшин Г. Д.

doi:10.31857/S0132665122600947

Cluster Self-Organization of Intermetallic Systems: Cluster Precursors K3, K4, K5, K7, and K8 for the Self-Assembly of Lu66Te24-mC90, Te4Lu28-oC32, Lu3(TeLu3)Lu2-hP9, and Lu4Te4-cF8 Crystal Structures

Autores: Shevchenko V.Y.¹, Ilyushin G.D.²
Afiliações:
1. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences
2. Federal Research Center “Crystallography and Photonics”
Edição: Volume 49, Nº 3 (2023)
Páginas: 223-234
Seção: Articles
URL: https://rjonco.com/0132-6651/article/view/663232
DOI: https://doi.org/10.31857/S0132665122600947
EDN: https://elibrary.ru/SLCWBB
ID: 663232

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Resumo

With the help of computer methods (ToposPro software package), a combinatorial topological analysis and modeling of the self-assembly of Lu4Te4-oF8 (Fm-3m, V = 211.0 Å3), Te4Lu28-oC32 (Cmcm, V = 908.3 Å3), Lu3(TeLu3)Lu2-hP9 (P-62m, V = 908.3 Å3), and Lu66Te24-mC90 (C12/m1, V = 2467.2 Å3) crystal structures are carried out. For the crystal structure of Lu4Te4-oF8, cluster precursors K8 = 0@Te4Lu4 with symmetry –43m; for Te4Lu28-oC32, tetrahedral cluster precursors K4 = 0@Lu4 and K4 = 0@TeLu3 with symmetry 2 and m; and for Lu3(TeLu3)Lu2, cluster precursors K7 = 0@Lu3(TeLu3) with symmetry 3m and spacers Lu are established. For the crystal structure of Lu66Te24-mC90, pyramid-shaped cluster precursors K5 = 0@Lu5 with symmetry 2, tetrahedra K4 = 0@Lu4 with symmetry 2, tetrahedra K4 = 0@TeLu3, and tetrahedra K4 = 0@Te2Lu2 are established, and rings K3 = 0@TeLu2 are involved in the formation of supraclusters-trimers. The symmetry and topological code of the processes of self-assembly of 3D structures from cluster precursors is reconstructed in the following form: primary chain → layer → framework.

Palavras-chave

Lu4Te4-oF8, Te4Lu28-oC32, Lu3(TeLu3)Lu2-hP9, and Lu66Te24-mC90 intermetallic compounds, crystal structure self-assembly, cluster precursors K3, K4, K5, K7, K8

Sobre autores

V. Shevchenko

Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences

Email: shevchenko@isc.nw.ru
199034, St. Petersburg, Russia

G. Ilyushin

Federal Research Center “Crystallography and Photonics”

Autor responsável pela correspondência
Email: gdilyushin@gmail.com
119333, Moscow, Russia

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