Interatomic potential parameters obtained via empirical fitting techniques provide good agreement between predicted and experimentally derived structural parameters for a range of alkali chlorate and bromate salts, as well as a double chlorate/bromate salt. Examination of the transfer of these parameters to modelling the structural properties of the divalent salt strontium chlorate provided a reasonable, albeit poorer, reproduction of the experimental data. Calculated elastic constants for all materials are provided.
|Number of pages||6|
|Journal||Acta Crystallographica Section A: Foundations of Crystallography|
|Publication status||Published - 1997|