The most important characteristics of the Voronoi-Dirichlet polyhedra (VDP) were determined for the 146 493 crystallographically different A atoms (A = Rb, Sr, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, In, Sn, Sb, Te, I, or Xe) in sublattices containing chemically identical atoms in the crystal structures of 82093 inorganic and organoelement compounds. Irrespective of the nature of the element of period 5, 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 (79% of cases) and also C s, C 2, and C i site symmetries (7 to 2%). Certain relationships were shown to exist between the nature of the metal atom and the preferred symmetry of the site it occupies in the crystal structure.
Russian Journal of Coordination Chemistry – Springer Journals
Published: Dec 8, 2006
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