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Journal of Structural Chemistry

2010 year, number 2

DEPENDENCE OF THE BOND LENGTH IN MOLECULES AND CRYSTALS ON COORDINATION NUMBERS OF ATOMS

S. S. Batsanov
Keywords: interatomic distance, phase transition, coordination number, bond order
Pages: 295-300

Abstract

Two approaches to the description of changes in the bond length in molecules and crystals with changing coordination number of atoms are studied. They are based on a difference or ratio of interatomic distances when the structure is changed. The second approach is shown to yield more accurate results. The change in the interatomic distances in polar compounds has the same character as the change in the ionic radii when coordination numbers are varied.