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Cluster Self-Organization of Intermetallic Systems: Two-Layer Precursor Cluster K44 = 0@8(U2Pu6)@36(U12Pu24) and Spacer K14 = U2Pu12 in the Crystal Structure U16Pu42-hP58

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Abstract

A geometric and topological analysis of the crystal structure of U16Pu42-hP58 with rhombohedral cell parameters arh = 10.685 Å, α = 89.74°, V = 1219.96 Å3, and sp. group R-3m is realized using computer methods (ToposPro software package). A new two-layer nanocluster-precursor 0@8(U2Pu6)@36(U12Pu24) with an internal polyhedron of 8 atoms in the form of a hexagonal bipyramid U2Pu6 and an outer shell of 36 U12Pu24 atoms is established. The center of cluster-precursor K44 is in position 4a with point symmetry –3m. The symmetry and topological code of the processes of self-assembly of 3D structures from precursors-clusters K44 are reconstructed in the following form: primary chain → layer → framework. Spacers, which occupy positions 4b with point symmetry –3m and are double gear rings (Pu6)2 associated with two U atoms, are located in the voids of the frame K14 = U2Pu12.

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Funding

Analysis of the self-assembly of the crystal structure 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, nanocluster analysis was supported by the Russian Foundation for Basic Research as part of task no. 19-02-00636, and topological analysis was carried out with the support of the RF Ministry of Science and Higher Education as part of state assignment no. 0778-2020-0005.

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

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Shevchenko, V.Y., Blatov, V.A. & Ilyushin, G.D. Cluster Self-Organization of Intermetallic Systems: Two-Layer Precursor Cluster K44 = 0@8(U2Pu6)@36(U12Pu24) and Spacer K14 = U2Pu12 in the Crystal Structure U16Pu42-hP58. Glass Phys Chem 48, 237–242 (2022). https://doi.org/10.1134/S1087659622040125

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