The {1 0 4} cleavage rhombohedron of calcite: theoretical equilibrium properties

Abstract

The character of the most important crystallographic forms of calcite crystal is quantitatively reviewed according to the Hartman and Perdok theory. Specific surface and edge energies of the cleavage {1 0 4} rhombohedron are calculated in the crystal–vacuum system by means of a semi-empirical potential function and following Stranski’s definition of the total surface energy of a finite crystal. A comparison is made between the calculated value and the experimental quantities entering the Dupré formula (specific crystal–solution interface energy, specific vapour–solution surface energy): the crystal–vacuum specific surface energy is proved to be quite reasonable, and for the first time, the specific crystal–solution adhesion energy for the {1 0 4} form is estimated.