Abstract
The development of an interatomic potential for alkali perchlorates and phosphates is presented. The potentials are fitted to sodium perchlorate (space group, Cmcm) and calcium phosphate and are transferred to another phase of sodium perchlorate (space group, F 43m) and also the perchlorates of caesium, potassium and rubidium and to the phosphates of strontium and magnesium. The calculated structure and elastic constants are compared with experimental data.