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Cluster Self-Organization of Crystal-Forming Systems: Precursor Clusters K13 = Pu@Pu12, K8 = 0@Pu8, and K4 = 0@Pu4 for the Self-Assembly of Crystal Structures Pu4(Pu13)-MS34, Pu8-mp16, and Pu4-hP8

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Abstract

Geometric and topological analysis of crystal structures Pu4 (Pu13)-mS34 (V = 749.1 Å3, sp. group I 2/m), Pu8-mp16 (V = 319.96 Å3, sp. group P21/m), and Pu4-hP8 (V = 115.02 Å3, sp. group P63/m) is carried out. For Pu8(Pu13), 39 variants of the cluster representation of the 3D atomic network are found with the number of structural units ranging from 2 to 5. The K13 = Pu @ Pu12 icosahedral clusters forming a 3D packing with symmetry 2/m are established. The Pu spacer atoms are located in the voids of the icosahedral framework. The K8 = 0@Pu8 clusters centered at positions 2c and 2b with –1 symmetry are established for Pu8-mp16 to form a 3D packing. For Pu4-hP8 clusters forming a 3D packing are installed K4 = 0@Pu4 centered at position 4f with symmetry 3. The symmetric and topological code of the processes of self-assembly of crystal structures from precursor metal clusters \({\text{S}}_{3}^{0}\) is reconstructed in the following form: chain \({\text{S}}_{3}^{1}\) → microlayer \({\text{S}}_{3}^{2}\) → microframework \(S_{3}^{3}\).

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ACKNOWLEDGMENTS

The authors thank V.A. Blatov for providing the ToposPro software package for the calculations.

Funding

Analysis of the self-assembly of crystalline structures was financially 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 nanocluster analysis was supported by the Russian Science Foundation (project no. RNF 20-13-00054).

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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.

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Shevchenko, V.Y., Ilyushin, G.D. Cluster Self-Organization of Crystal-Forming Systems: Precursor Clusters K13 = Pu@Pu12, K8 = 0@Pu8, and K4 = 0@Pu4 for the Self-Assembly of Crystal Structures Pu4(Pu13)-MS34, Pu8-mp16, and Pu4-hP8. Glass Phys Chem 48, 468–477 (2022). https://doi.org/10.1134/S1087659622700043

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