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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

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Abstract

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.

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Funding

Analysis of the self-assembly of crystal structures was supported by the RF Ministry of Science and Higher Education as part of a state task of the Federal Research Center “Crystallography and Photonics” of the Russian Academy of Sciences, and the cluster analysis was supported by the Russian Science Foundation (RNF no. 21-73-30019).

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Authors and Affiliations

  1. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, 199034, St. Petersburg, Russia

    V. Ya. Shevchenko

  2. Federal Research Center “Crystallography and Photonics”, 119333, Moscow, Russia

    G. D. Ilyushin

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  1. V. Ya. Shevchenko
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  2. G. D. Ilyushin
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Correspondence to V. Ya. Shevchenko or G. D. Ilyushin.

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Shevchenko, V.Y., Ilyushin, G.D. 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. Glass Phys Chem 49, 215–223 (2023). https://doi.org/10.1134/S1087659623600084

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