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Calculation of Stable Isotope (O, C, Ca) Fractionation Factors for Apatite

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Abstract

The isotope fractionation β-factors have been determined for hydroxyapatite, fluorapatite, and carbon–apatite upon 18O/16O, 13C/12C, and 44Ca/40Ca substitutions depending on the temperature. Calculations were performed based on density functional theory (DFT). The results are expressed in terms of cubic polynomials against x = 106/T(K)2 and can be utilized as geothermometers if combined with β-factors of the coexisting phases. The new values of β-factors completely supersede the conventional semi-empirical (estimated by the method of increments) calibrations of isotopic equilibria involving apatite.

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Authors and Affiliations

  1. Institute of Precambrian Geology and Geochronology, Russian Academy of Sciences, St. Petersburg, 199034, Russia

    D. P. Krylov, A. B. Kuznetsov & E. Yu. Akimova

  2. St. Petersburg State University, Institute of Earth Sciences, St. Petersburg, 199034, Russia

    A. B. Kuznetsov & E. Yu. Akimova

Authors
  1. D. P. Krylov
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  2. A. B. Kuznetsov
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  3. E. Yu. Akimova
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Correspondence to D. P. Krylov.

Additional information

Published in Russian in Doklady Akademii Nauk, 2018, Vol. 482, No. 6.

This article was translated by the authors.

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Krylov, D.P., Kuznetsov, A.B. & Akimova, E.Y. Calculation of Stable Isotope (O, C, Ca) Fractionation Factors for Apatite. Dokl. Earth Sc. 482, 1354–1356 (2018). https://doi.org/10.1134/S1028334X18100240

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  • DOI: https://doi.org/10.1134/S1028334X18100240

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