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Cluster Self-Organization of Intermetallic Systems: Role of K5 = 0@5, K9 = 1@8 and K11 = 0@11 Clusters in the Self-Assembly of Crystal Structures

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Abstract

The combinatorial-topological analysis and simulation of self-assembly of the Na96Hg36-hR132 (space group R-3c, a = b = 9.228 Å, c = 52.6380 Å, V = 3881.91 Å3) and Na12Hg8-tP20 (space group P42/mnm, a = b = 8.520, c = 7.800 Å, V = 566.2 Å3) crystal structures are conducted by computer-based methods (ToposPro program package). Polyhedral cluster precursors K11 = 0@11(Na8Hg3) and K9 = Hg@Na8 are first determined for the intermetallic compound Na96Hg36-hR132, while polyhedral cluster precursors K5 = 0@Na3Hg2 are determined for the intermetallic compound Na12Hg8-tP20. The symmetry and topology code of the self-assembly processes of the 3D structure Na96Hg36-hR132 from the nanocluster precursors K11 and K9, and of the 3D structure Na12Hg8-tP20 from the K5 clusters are reconstructed as the primary chain \(S_{{\text{3}}}^{1}\) → layer \(S_{{\text{3}}}^{2}\)→ frame \(S_{{\text{3}}}^{3}.\) The structural analysis of all known intermetallic compounds is conducted, and numerous examples of the assembly of their structures from the K5, K9, and K11 clusters are found.

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Funding

This study was supported by the Russian Foundation for Basic Research (project no. 19-02-00636) and Ministry of Science and Higher Education as part of a state order for the Federal Research Centre “Crystallography and Photonics” of the Russian Academy of Sciences.

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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 Centre “Crystallography and Photonics,”, 119333, Moscow, Russia

    G. D. Ilyushin

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

    G. D. Ilyushin, I. V. Medrish & V. A. Blatov

Authors
  1. V. Ya. Shevchenko
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  2. G. D. Ilyushin
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  3. I. V. Medrish
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  4. V. A. Blatov
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Correspondence to V. Ya. Shevchenko.

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Translated by D. Marinin

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Shevchenko, V.Y., Ilyushin, G.D., Medrish, I.V. et al. Cluster Self-Organization of Intermetallic Systems: Role of K5 = 0@5, K9 = 1@8 and K11 = 0@11 Clusters in the Self-Assembly of Crystal Structures. Glass Phys Chem 46, 277–284 (2020). https://doi.org/10.1134/S1087659620040112

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  • DOI: https://doi.org/10.1134/S1087659620040112

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