The {104} cleavage rhombohedron of calcite: theoretical equilibrium properties

The character of the most important crystallographic forms of calcite cryst al is quantitatively reviewed according to the Hartman and Perdok theory. S pecific surface and edge energies of the cleavage {1 0 4} rhombohedron are calculated in the crystal-vacuum system by means of a semi-empirical potent ial function and following Stranski's definition of the total surface energ y of a finite crystal. A comparison is made between the calculated Value an d the experimental quantities entering the Dupre formula (specific crystal- solution interface energy, specific vapour-solution surface energy): the cr ystal-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. (C) 2000 Elsevier Science S.A. All rights reserve d.