Abstract
Using computer methods (ToposPro software package), a geometric and topological analysis of the crystal structure of the intermetallic Ce80Pd128In284-cF492 (a = 21.838 Å, V = 10414.79 Å3, space group F-43m) is carried out. Two new nanocluster precursors with symmetry -43m are found: a two-layer nanocluster K61 composition In@16(Ce4In12)@44(Ce4In12Pd28) with an inner centered Friauf polyhedron In@16(Ce4In12) and with 44 atoms in the outer shell, and a two-layer nanocluster K42 of the composition 0@8(In8)@34(Ce6Pd4In24) with an inner polyhedron In8 and with 34 atoms in the outer shell. The symmetry and topological code of the processes of self-assembly of 3D structures from nanoclusters-precursors K61 and K42 is reconstructed in the following form: primary chain → microlayer → microframework. In4-tetrahedra with symmetry ‑43m, as well as spacer atoms Ce and In, are installed as spacers occupying voids in a 3D framework of nanoclusters K-61 and K-42.
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Funding
Nanocluster analysis and modeling of the self-assembly of the crystal 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 order of the Federal Scientific Research Center “Crystallography and Photonics” of the Russian Academy of Sciences, the topological analysis was carried out with the support of the Ministry of Education and Science of the Russian Federation as part of state order no. 0778-2020-0005.
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Shevchenko, V.Y., Blatov, V.A. & Ilyushin, G.D. Cluster Self-Organization of Intermetallic Systems: New Two-Layer Precursor Nanoclusters K61 = In@16(Ce4In12)@44(Ce4In12Pd28) and K42 = 0@8(In8)@34(Ce6Pd4In24) in the Crystalline Structure Ce80Pd128In284-CF492. Glass Phys Chem 47, 401–407 (2021). https://doi.org/10.1134/S1087659621050138
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DOI: https://doi.org/10.1134/S1087659621050138