Lattice potentials as an instrument in crystal chemistry. II. Applications to the crystal bulk 1

Abstract

Abstract Some applications of bulk potential calculations are given. The topology of Periodic Zero Potential Surfaces (POPS) for some simple structure types and the three structure types PbFCl, FeOCl and PbCl2 has been studied. This topology is correlated with other electrostatic values such as Madelung factors (MF) and reduced partial Madelung factors (PMF*). The theoretical background of lattice potential calculations in the crystal bulk has been described in a previous paper [1].