Chemical binding in silicate minerals Part I. Model for determining crystal-chemical properties

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Relations between chemical bond type and configuration and expected physicochemical b ehavior of the silicates are outlined. It is suggested as a first approximation that the covalent bond energies, except for small differences, are independent of the silicate and other partially covalent mineral phases. Covalent and overlap repulsive energies may be largely omitted when deducing some stability relations of minerals. Combining Coulomb energies with appropriate corrections makes possible quantitative prediction of stability relations of minerals. Melting temperatures of spinel have been calculated from the binding energies. Agreement between calculated and observed melting points is exceptionally good when covalency, radius-ratio and coordination-effect corrections are made to the melting points determined from Coulomb binding energies. First results of energy calculations on an investigative level are very encouraging and efforts should be made to improve the quality of the approximations.

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