Ca- and Mg-perovskite phases in the Earth’s mantle as a probable reservoir of Al: Computer-simulation evidence
- Authors: Marchenko E.I.1, Eremin N.N.1, Bychkov A.Y.1, Grechanovskii A.E.2
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Affiliations:
- Department of Geology
- Semenenko Institute of Geochemistry, Mineralogy, and Ore Formation
- Issue: Vol 72, No 5 (2017)
- Pages: 299-304
- Section: Article
- URL: https://journals.rcsi.science/0145-8752/article/view/174489
- DOI: https://doi.org/10.3103/S0145875217050076
- ID: 174489
Cite item
Abstract
Semi-empirical and quantum chemical studies of Al atom energy in CaSiO3 and MgSiO3 with the perovskite-type structure at pressures and temperatures of the Earth’s mantle are reported. The phase diagram for CaSiO3 is reproduced and refined. Probable mechanisms of Al incorporation in the structures studied are considered. According to the results of the calculations, Al is preferably incorporated into MgSiO3, rather than into CaSiO3. Evaluation of the isomorphic capacity of perovskite phases in relation to Al shows that the Al content in MgSiO3 may reach 2.4 mol % at 120 GPa and 2400 K. CaSiO3 cannot be a source of Al atoms in the Earth’s mantle.
About the authors
E. I. Marchenko
Department of Geology
Author for correspondence.
Email: marchenko-ekaterina@bk.ru
Russian Federation, Moscow, 119991
N. N. Eremin
Department of Geology
Email: marchenko-ekaterina@bk.ru
Russian Federation, Moscow, 119991
A. Yu. Bychkov
Department of Geology
Email: marchenko-ekaterina@bk.ru
Russian Federation, Moscow, 119991
A. E. Grechanovskii
Semenenko Institute of Geochemistry, Mineralogy, and Ore Formation
Email: marchenko-ekaterina@bk.ru
Ukraine, Kyiv, 03680