Madelung Constants for the Calcium Carbide and Pyrite Crystal Structures
Abstract
The Madelung constants for the calcium carbide and pyrite crystal structures have been calculated assuming that the anion can be represented by two spherically symmetric charge distributions. The results indicate that the assumption that the anion is spherically symmetric can lead to small errors in the case of the pyrite structure and large errors in the case of the calcium carbide structure.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- August 1962
- DOI:
- 10.1063/1.1701381
- Bibcode:
- 1962JChPh..37..598W