Estimation of the accumulation of impurity K and Na ions in the CaSiO3 and MgSiO3 crystal structures at pressures 18-25 GPa

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Based on the data of atomistic modeling, various schemes of the isomorphic occurrence of K+ and Na+ ions in the crystal structures of CaSiO3 and MgSiO3 in the pressure range 18-25 GPa and temperatures of 1873-2223 K were analyzed. Under these PT parameters, the content of K+ and Na+ in structures under investigation was estimated. The semiempirical simulation data are in good agreement with the results of experiments with perovskite structure phases.

About the authors

N. N. Eremin

Lomonosov Moscow State University

Author for correspondence.

Russian Federation, 1, Leninskie gory, Moscow, 119991

A. V. Bobrov

Lomonosov Moscow State University; Vernadsky Institute of Geochemistry and Analytical Chemistry of the Russian Academy of Sciences; D.S. Korzhinskii Institute of Experimental Mineralogy of Russian Academy of Sciences


Russian Federation, 1, Leninskie gory, Moscow, 119991; 19, Kosygin street, Moscow, 119991; 4, Osypyan street, Chernogolovka, Moscow region, 142432

E. I. Marchenko

Lomonosov Moscow State University


Russian Federation, 1, Leninskie gory, Moscow, 119991


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