Russian Journal of General Chemistry

, Volume 78, Issue 4, pp 532–542 | Cite as

Interpolation determination of the lattice energy of ionic crystals within the framework of stereoatomic model

  • V. V. Oshchapovskii


A new method based on graph theory was suggested for interpolation calculation of the lattice energy U of ionic crystals. The method is based on revealing matrix correlation between the ionic radii and U values for MX compounds, where M is a metal and X is halogen, hydrogen, or chalcogen. A new formula was obtained for calculating the lattice energy solely from the ionic radii, without introduction of abitrary factors. The mean error of determining U for alkali metal halides is 0.49%. The lattice energies were calculated for a large group of inorganic substances. The accuracy of the interpolation calculation of the lattice energy of ionic crystals depends on the degree of ionicity of the bond: With an increase in the covalent contribution, the error increases.


General Chemistry PbSe AgBr Lattice Energy Ionic Crystal 
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© MAIK Nauka 2008

Authors and Affiliations

  1. 1.Lviv State University of Safety of Vital ActivityLvivUkraine

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