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.
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