Cluster Self-Organization of Intermetallic Systems: New Two-Layer Nanocluster-Precursor K44=0@8(U2Ni6) @36(U12Ni24) in the Crystal Structure U66Ni96-hR162

Using computer methods (ToposPro software package), the geometric and topological analysis is carried out of the crystal structure of U66Ni96-hR162 with the parameters of the rhombohedral cell: a = 11.778 angstrom, c = 20.748 angstrom, V = 2492.90 angstrom(3), and sp. gr. R-3. A new two-layer nanocluster-precursor 0@8(U2Ni6) @36(U12Ni24) with an internal polyhedron of 8 atoms in the form of a hexagonal bipyramid U2Ni6 and an outer shell of 36 atoms of U12Ni24 is found. The center of the precursor-cluster K44 is in position 4b with the point symmetry of -43m. The symmetry and topological code of the processes of self-assembly of 3D structures from clusters-precursors K44 is reconstructed in the form primary chain -> layer -> framework. The centered tetrahedrons are located in the voids of framework K5 = NiU4 in position 6c with symmetry 3.

Automated summary

Using computer methods, the crystal structure of U66Ni96-hR162 was analyzed, revealing a new two-layer nanocluster-precursor structure and reconstructing the self-assembly process of the precursor clusters. The study shows the presence of multi-layer structures, with centered tetrahedrons located in the voids of the framework.