Maximum filling principle and sublattice characteristics for the atoms of period 2 elements

Abstract

The most important characteristics of the Voronoi-Dirichlet polyhedra (VDP) of 7195542 atoms A (A = Li, Be, B, C, N, O, or F) in sublattices containing only chemically identical A atoms in the crystal structures of inorganic, coordination, and organoelement compounds were determined. The VDP of Li, Be, B, N, O, or F atoms in these sublattices have most often 14 faces and those of C atoms, 16 faces. The Fedorov cuboctahedron is the most abundant combinatorial topologic type of VDP in all cases. The effect of the nature of the A atoms on the A-A interatomic distances in the homoatomic sublattices of the crystal structures was considered.