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Isomorphism Features of Post-Spinel Phases: Computer Modeling of Inclusion Composition in Lower Mantle Diamonds

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Abstract

Mixing properties of solid solutions of the post-spinel phases with a composition of CaCr2O4–CaAl2O4, CaCr2O4–CaFe2O4, MgCr2O4–MgAl2O4, and MgCr2O4–MgFe2O4 in the temperature range of 1873–2223 K and at a pressure of 18–25 GPa were studied by the semi-empirical modeling. These PT parameters were used to estimate a formation energy of impurity defects of trivalent metal ions (aluminum and iron) in isomorphic sites. The study results: (1) the studied binary solid solutions are characterized by a complete miscibility; (2) the incorporation of Fe3+ impurity ion into the post-spinel phases of MgCr2O4 and CaCr2O4 is less favorable in terms of energy than that of Al3+ ions over the entire pressure and temperature range under study. The results obtained were used to interpret compositions of the post-spinel phases forming inclusions in lower mantle diamonds.

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Funding

The work was supported by the Russian Science Foundation (grant no. 21-17-00147).

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Authors and Affiliations

  1. Moscow State University, 119991, Moscow, Russia

    V. V. Buchinskii, E. I. Marchenko, A. V. Iskrina,  N. N. Eremin & A.V. Bobrov

  2. Korzhinsky Institute of Experimental Mineralogy, Russian Academy of Sciences, 142432, Chernogolovka, Moscow oblast, Russia

    A. V. Iskrina & A.V. Bobrov

Authors
  1. V. V. Buchinskii
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  2. E. I. Marchenko
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  3. A. V. Iskrina
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  4. N. N. Eremin
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  5. A.V. Bobrov
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Corresponding author

Correspondence to E. I. Marchenko.

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Translated by E. Maslennikova

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Buchinskii, V.V., Marchenko, E.I., Iskrina, A.V. et al. Isomorphism Features of Post-Spinel Phases: Computer Modeling of Inclusion Composition in Lower Mantle Diamonds. Dokl. Earth Sc. (2024). https://doi.org/10.1134/S1028334X23603735

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  • DOI: https://doi.org/10.1134/S1028334X23603735

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