Abstract
Using computer methods (ToposPro software package), geometrical and topological analysis of the crystal structure of Na52Ba4Sn80-cF540 intermetallic compound (a = 25.053 A, V = 16 010.82 A3, space group F-43m) are carried out. Two new nanocluster precursors with the -43m symmetry are determined, more specifically, the K47 two-layer nanocluster of the Na@16Sn@30Na composition with an NaSn16 internal Friauf polyhedron and 30 Na atoms in the shell and a K64 two-layer nanocluster of the 0@8(Sn4Ba4)@56(Na4Sn52) composition with the Sn4Ba4 internal polyhedron and 56 (4Na + 52Sn) atoms in the shell. The symmetrical and topological codes of self-assembly processes of 3D structures from K64 and K47 cluster precursors are reconstructed in the following form: primary chain → microlayer → microframework. The Na4 and Sn8 clusters with the -43m symmetry and Na atoms are determined as the spacers occupying the voids in the 3D framework from the K64 and K47 nanoclusters.
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