Abstract
Using Voronoi-Dirichlet polyhedra, the principle of maximum space filling in sublattices containing atoms of a particular element (from H to Cf) is tested in the structures of all crystalline compounds studied so far. It is found that atoms of the overwhelming majority of elements are most often surrounded by 14 neighboring atoms in these sublattices. Anomalous features of H- and C-sublattices, in which hydrogen and carbon atoms most commonly have 15 and 16 neighboring atoms respectively, and sublattices consisting of Ar, Ac, Pa, Am, Cm, Bk, or Cf atoms, in which the number of nearest neighboring atoms is usually 12, are discovered. The main reasons for the revealed differences are discussed.
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Original Russian Text Copyright © 2009 by V. N. Serezhkin, D. V. Pushkin, and L. B. Serezhkina
Translated from Zhurnal Strukturnoi Khimii, Vol. 50, Supplement, pp. S18–S25, 2009.
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Serezhkin, V.N., Pushkin, D.V. & Serezhkina, L.B. Topology features of chemically homogeneous sublattices in crystal structures. J Struct Chem 50 (Suppl 1), 14–21 (2009). https://doi.org/10.1007/s10947-009-0185-x
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DOI: https://doi.org/10.1007/s10947-009-0185-x