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• W2080007002 abstract "A new approach based on the bond-valence matching relation is developed to predict the detailed structural evolution of GdFeO 3 -type perovskites at high pressure from knowledge of the room-pressure structure and the high-pressure unit-cell parameters alone. The evolution of perovskite structures estimated in this way is in good agreement with the structure refinements available from high-pressure single-crystal diffraction measurements of a number of perovskites. The method is then extended to predict the structure of MgSiO 3 perovskite at pressures for which no single-crystal structural data are available and the results are compared to ab initio quantum calculations of MgSiO 3 perovskite up to 120 GPa." @default.
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• W2080007002 date "2006-05-15" @default.
• W2080007002 modified "2023-10-11" @default.
• W2080007002 title "Estimation of polyhedral compressibilities and structural evolution of GdFeO₃-type perovskites at high pressures" @default.
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• W2080007002 doi "https://doi.org/10.1107/s0108768106009384" @default.
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