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Zeitschrift für Kristallographie

International journal for structural, physical, and chemical aspects of crystalline materials
ISSN 0044-2968 www.zkristallogr.de
Zeitschrift für Kristallographie, 1997, Volume 212, Issue 08, p. 565
General Aspects
Horst P. Beck, T. Beyer
Lattice potentials as an instrument in crystal chemistry.
II. Applications to the crystal bulk

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].


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