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.
Russian Journal of Coordination Chemistry – Springer Journals
Published: Nov 6, 2006
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