The Madelung constants of NaCl, CsCl, and K2SO4 have been calculated with the aid of a digital computer.
The method of summing over neutral shells of atoms with each shell being composed of unit cells is used. This method allows the presence of surface dipole moments (de Boer effect) to be ignored. The results for K2SO4 allow the calculation of the Madelung constant as a function of the charge on the oxygen (Mδ=6.922+0.36ε).
REFERENCES
1.
For a review of methods see J. R. Partington, Advanced Treatise on Physical Chemistry (Longmans‐Green, London, 1952), Vol. 3, p. 373;
T. C.
Waddington
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also
E. J. W.
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R. W. G. Wycoff, Crystal Structures (Interscience Publishers, Inc., New York, 1948), Sec. VIII, p. 5.
5.
H. E. Swanson, R. K. Fuyat, and G. M. Ugrinic, Natl. Bur. Standards Circ. No. 539, Vol. III, p. 62.
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A. F.
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For a summary of Kapustinskii’s work, see
A. F.
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).
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© 1960 American Institute of Physics.
1960
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