Features of isomorphism of post-spinel phases: results of computer simulation of the composition of inclusions in lower mantle diamonds

Авторы: Buchinskiy V.V., Marchenko E.I., Iskrina A.V., Eremin N.N., Bobrov A.V.
Журнал: Doklady Earth Sciences
Год издания: 2024
Издательство: Maik Nauka/Interperiodica Publishing
Местоположение издательства: Russian Federation
DOI: 10.1134/S1028334X23603735
Аннотация: 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 of1873–2223 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.
Добавил в систему: Еремин Николай Николаевич

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