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Computer simulation of cation distribution in the octahedral layers of micas

Published online by Cambridge University Press:  05 July 2018

W. J. Krzanowski
Affiliation:
Rothamsted Experimental Station, Harpenden, Herts
A. C. D. Newman
Affiliation:
Rothamsted Experimental Station, Harpenden, Herts

Summary

Without direct evidence that cations favour particular sites in the octahedral layers of phlogopite-biotite micas, it is usually assumed that the cations are distributed randomly. Such a distribution, however, implies appreciable populations of cation combinations that seem electrostatically improbable. A computer program was written that rearranges a random distribution so that the improbable combinations of cations are eliminated by predetermined restrictions. Its use shows that conditions deduced from Pauling's electrostatic valence rule lead to grouping of trivalent cations around vacancies; for some chemical compositions, chains of alternate trivalent cations and vacancies extend through the structure.

Type
Research Article
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 1972

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References

Donnay, (G.), Donnay, (J. D. H.), and Takeda, (H.), 1964. Acta Cryst., 17, 1374.Google Scholar
Foster, (M. D.), 1960. U.S. Geol. Surv. Prof, Paper, 354-B.Google Scholar
Newman, (A. C. D.), 1969. Journ, Soil Sci., 20, 357.CrossRefGoogle Scholar
Pauling, (L.), 1960. The Nature of the Chemical Bond (3rd edn) p. 548. Ithaca (Cornell University Press).Google Scholar
Radoslovich, (E. W.), 1963. Amer. Min., 48, 76.Google Scholar
Vedder, (W.), 1964. Ibid. 49, 736.Google Scholar
Wilkins, (R. W. T.) and Ito, (J.), 1967. Ibid. 52, 1649.Google Scholar
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