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Cluster Self-Organization of Intermetallic Systems: New Four-Layer Cluster Precursor K244 = 0@12@20@80@132 and New Three-Layer Cluster Precursor K245 = 1@14@48@206 in the Rh140Al403-cP549 and Mn18Pd138Al387-cP549 Crystal Structures

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Abstract

The geometric and topological analysis of the crystal structure of (i) the Rh140Al403-cP549 intermetallide with cubic cell parameters a = 19.9350 Å, V = 7922.25 Å3, and the Pm-3 space group and (ii) the Mn18Pd138Al387-cP549 intermetallide with cubic cell parameters a = 20.211 Å and Pm-3 space group is conducted by the ToposPro program package. Two new cluster precursors with the symmetry -43m is established: the K244 = 0@12@20@80@132 four-layer cluster with an inner icosahedron Pd12 or Rh12 and the three-layer cluster K245 = 1@14@48@206 with an inner 15-atom polyhedron Al@Pd8Al6 or Al@Rh8Al6. The symmetric and topological code of self-assembly processes of 3D structures from K244 and K245 nanocluster precursors is reconstructed in the following form: primary chain → microlayer → microframework. MAl3 and M2Al2 (M = Rh or Pd) clusters bound by Al atoms were adjusted as spacers occupying voids in the 3D framework of the K242 and K245 nanoclusters.

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Funding

The nanocluster analysis was supported by the Russian Science Foundation (RSF no. 20-13-00054); the analysis of the self-assembly of the crystal structure was supported by the Ministry of Education and Science of the Russian Federation as part of a state order for the Federal Research Centre “Crystallography and Photonics” of the Russian Academy of Sciences; and the topological analysis was supported by the Ministry of Education and Science of the Russian Federation as part of state order no. 0778-2020-0005.

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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. Samara Center for Theoretical Materials Science, Samara State Technical University, 443100, Samara, Russia

    V. A. Blatov & G. D. Il’yushin

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

    G. D. Il’yushin

Authors
  1. V. Ya. Shevchenko
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  2. V. A. Blatov
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  3. G. D. Il’yushin
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Correspondence to V. Ya. Shevchenko or G. D. Il’yushin.

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Translated by D. Marinin

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Shevchenko, V.Y., Blatov, V.A. & Il’yushin, G.D. Cluster Self-Organization of Intermetallic Systems: New Four-Layer Cluster Precursor K244 = 0@12@20@80@132 and New Three-Layer Cluster Precursor K245 = 1@14@48@206 in the Rh140Al403-cP549 and Mn18Pd138Al387-cP549 Crystal Structures. Glass Phys Chem 47, 1–12 (2021). https://doi.org/10.1134/S1087659621010107

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