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Estimation of the Incorporation of Ti4+ Ions in the Composition of Mantle Garnets: The Results of Atomistic Calculations

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Abstract

The schemes of isomorphic incorporation of Ti4+ ions in the crystal structures of Mg3Al2(SiO4)3 and MgSiO3 garnets in the pressure range of 7–25 GPa at temperatures from 1713 to 1913 K have been analyzed based on atomistic simulation data.

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ACKNOWLEDGMENTS

The study was carried out using the equipment of the shared research facilities of HPC computing resources at the Moscow State University.

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Authors and Affiliations

  1. Moscow State University, 119991, Moscow, Russia

    N. N. Eremin, N. D. Gostishcheva, A. V. Bobrov, A. A. Bendeliani & A. I. Burova

  2. Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, 119991, Moscow, Russia

    A. V. Bobrov & A. A. Bendeliani

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

    A. V. Bobrov

Authors
  1. N. N. Eremin
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  2. N. D. Gostishcheva
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  3. A. V. Bobrov
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  4. A. A. Bendeliani
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  5. A. I. Burova
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Correspondence to N. N. Eremin.

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Translated by D. Churochkin

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Eremin, N.N., Gostishcheva, N.D., Bobrov, A.V. et al. Estimation of the Incorporation of Ti4+ Ions in the Composition of Mantle Garnets: The Results of Atomistic Calculations. Crystallogr. Rep. 66, 56–59 (2021). https://doi.org/10.1134/S1063774521010041

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  • DOI: https://doi.org/10.1134/S1063774521010041

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