Maximum filling principle and sublattice characteristics for the atoms of period 6 elements

被引:5
作者
Serezhkin, V. N. [1 ]
Pushkin, D. V. [1 ]
Serezhkina, L. B. [1 ]
机构
[1] Samara State Univ, Samara 443086, Russia
基金
俄罗斯基础研究基金会;
关键词
D O I
10.1134/S1070328406110066
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The most important characteristics of the Voronoi-Dirichlet polyhedra (VDP) were determined for the 88223 crystallographically different A atoms (A=Cs, Ba, La, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, or Bi) in sublattices containing chemically identical atoms in the crystal structures of 52370 inorganic and organoelement compounds. Irrespective of the nature of the A element, the VDP have most often 14 faces, the Fedorov cuboctahedron being the most abundant VDP type. The metal atoms A were found to have, most often, C-1 site symmetry (76% of cases) and also C-s, C-2, C-i, and C-2v site symmetries (7 to 2%). Certain relationships were shown to exist between the nature of the metal atom and the preferred symmetry of the sites it occupies in the crystal structures.
引用
收藏
页码:801 / 810
页数:10
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