Abstract
Using computer methods (ToposPro software package), the geometrical and topological analysis of the crystal structure of the Zr6Mg20Zn128-cP154 intermetallic compound with cubic cell parameters a = 13.709 A, V = 2576.42 A3, and space group Pm-3 is carried out. Two new nanocluster precursors with the ‑43m symmetry are determined: a three-layer K136 nanocluster of the 0@Zn12@32(Mg20Zn12@92(Zr12Zn80) composition with an internal icosahedron 0@Zn12 and 12 Zr atoms and 20 Zn atoms in 60-atomic Zn-shell and a two-layer K30 nanocluster of the 0@Zn6@Zn24 composition with an internal Zn6-octahedron and 24 Zn atoms in the external shell. The symmetrical and topological codes of the self-assembly processes of 3D structures from K136 and K30 nanocluster precursors are reconstructed in the following form: primary chain → microlayer → microframework. The Zn2 dimers are determined as the spacers occupying the voids in the 3D framework from K136 and K30 nanoclusters.
Published Version
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