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Cluster Self-Organization of Intermetallic Systems: New Four-Layer Clusters K339 = Tb@18@42@86@192 and Three-Layer Clusters K147 = Tb@18@42@86) and K124 = 0@8@26@90 in the Crystal Structure of Tb117Fe52Ge112-cF1124

Abstract

Using computer methods (ToposPro software package), a geometric and topological analysis of the crystal structure of the Tb intermetallic compound 117Fe52Ge112-cF1124 with giant cubic cell parameters a = 28.580 Å, V = 23344.61 Å3, etc., is carried out by the group fm-3m. As a result, 575 variants of the cluster representation of the 3D atomic network with the number of structural units ranging from 3 to 8 are established. Two variants of self-assembly of the crystal structure from four-layer precursor clusters K339 = Tb@18(Fe12Ge6)@42(Ge18Tb24)@86(Ge32Tb54)@192(Ge72Fe48Tb72), and two three-layer clusters K147 = Tb@18(Fe12Ge6)@42(Ge18Tb24)@86(Ge32Tb54) and K124 = 0@8Fe@26(Fe8Tb18)@90(Ge42Tb48) are considered. The symmetry and topological code of the processes of self-assembly of 3D structures from new precursor clusters is reconstructed in the form primary chain → layer → framework.

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Funding

The nanocluster analysis and modeling of the self-assembly of crystalline structures was supported by the Russian Foundation for Basic Research (RFBR no. 19-02-00636) and the Ministry of Education and Science of the Russian Federation as part of a state task of the Federal Research Center “Crystallography and Photonics” of the Russian Academy of Sciences; and the topological analysis was carried out with the support of the Ministry of Education and Science of the Russian Federation as part of state task no. 0778-2020-0005.

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Correspondence to V. Ya. Shevchenko.

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Shevchenko, V.Y., Blatov, V.A. & Ilyushin, G.D. Cluster Self-Organization of Intermetallic Systems: New Four-Layer Clusters K339 = Tb@18@42@86@192 and Three-Layer Clusters K147 = Tb@18@42@86) and K124 = 0@8@26@90 in the Crystal Structure of Tb117Fe52Ge112-cF1124. Glass Phys Chem 48, 85–93 (2022). https://doi.org/10.1134/S1087659622020067

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  • DOI: https://doi.org/10.1134/S1087659622020067

Keywords:

  • Tb117Fe52Ge112-cF1124 intermetallic
  • self-assembly of the crystal structure
  • four-layer nanoclusters-precursors K339 = Tb@18@42@86@192
  • three layers nanoclusters-precursors K147 = Tb@18@42@86 and K124 = 0@8@26@90