Estimation of the accumulation of impurity chromium ions in CaSiO3 and MgSiO3 earth mantle phases at pressures 18-25 GPa

Abstract

Based on the data of atomistic modeling, various schemes of the isomorphic occurrence of Cr3+ 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 Cr3+ in structures under investigation was estimated. The semiempirical simulation data are in good agreement with the results of experiments.