期刊
CRYSTALLOGRAPHY REPORTS
卷 55, 期 7, 页码 1093-1099出版社
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S1063774510070011
关键词
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资金
- Russian Foundation for Basic Research [09-02-01269]
A combinatorial and topological analysis of Li19Na8Ba15 (hP842, a = 20 angstrom, c = 93 angstrom, V = 33552 angstrom(3), P (3) over bar) has been performed using computer methods ( the TOPOS program package). Two types of crystal-forming quasi-spherical nanoclusters about 20 angstrom in diameter with internal Friauf polyhedra (A-172) and icosahedra (B-137) have been established by the complete decomposition of the 3D factor graph of the structure into cluster substructures. Each type of nanoclusters forms close-packed 2D layers 3(6), which alternate along the c axis. The B-137 and A-172 nanoclusters are composed of three layers and have shell compositions (1 + 12 + 32 + 92) and (1 + 16 + 59 + 103) with local symmetries 3 and (3) over bar, respectively; they were revealed for the first time in crystal structures as cluster precursors. The icosahedral B-137 nanocluster contains a 104-atom quasicrystal approximant (Samson cluster).
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