Abstract

The Madelung constant is calculated for the tetragonal distortion of the CsCl lattice using Ewald's method over a large c a range. The results deviate considerably from the analytical expressions for the Madelung constant in the literature. As a checkpoint for our calculation, the Madelung constant for the ideal cubic AuCuI structure ( c a = √2) is also computed by direct lattice summation using Evjen's method.

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