Prediction of Madelung Constants
- 1 October 1955
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 23 (10) , 1826-1829
- https://doi.org/10.1063/1.1740586
Abstract
Madelung constants of both simple and complex salts can be reduced to a common scale by taking the nearest‐neighbor distance as the unit distance and then dividing by half the sum of the squares of the charges of all the atoms in the stoichiometric unit. These ``reduced Madelung constants,'' α, can be predicted within a few percent by the relation α=1.89—1/m, where m is the harmonic mean coordination number. Madelung constants have been calculated for LaOCl, YOF, ReO3, and several perovskite structures for comparison with the predictions.Keywords
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