Lattice Parameters and Lattice Energies of High-Pressure Polymorphs of Some Alkali Halides

某些碱金属卤化物高压多晶型物的晶格参数和晶格能

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Abstract

Lattice parameters of the high-pressure forms of the alkali halides were determined. The lattice parameters were used to compare the lattice energies of the NaCl and CsCl type structures at the transition pressure. An analysis of the effect of experimental uncertainties on the calculated lattice energies showed that in almost every instance the BornMayer theory adequately accounts for the lattice energy of the high-pressure structure.

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