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UDC 519.713

© I. E. Eremin, M. S. Sychev, 2012

MODELING OF MADELUNG CONSTANT FOR CRYSTALS OF CUBIC SYSTEM. II

The compact description of the crystal lattice in vector-matrix notation is pro-posed. The paper describes modified algorithm of computer-aided calculation of Madelung constant for complex cubic crystal lattices. The results of Madelung constant calculations for complex cubic crystal lattices are considered and analyzed.

Keywords: complex crystal lattice; coordination sphere; automation of calculations.

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