Lattice potentials as an instrument in crystal chemistry. IV. Surface Madelung Factors 1

Abstract

Abstract A new geometric structure constant for crystal surfaces is introduced in this paper. We call it “Surface Madelung Factor (SMF)” because it has some analogies to the Madelung factor of crystal structures: it is independent of the lattice constants and it has the same value for all members of a structure type for a given surface. The SMF can be used to calculate the Madelung Part of Surface Energy (MAPSE) and to estimate the crystal morphology. All calculations can be done with a program called MAPSECAL.