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| Azevedo, Nuno Monteiro |
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Chanyshev, Artem
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article
Crystal chemistry and compressibility of Fe0.5Mg0.5Al0.5Si0.5O3 and FeMg0.5Si0.5O3 silicate perovskites at pressures up to 95 GPa
Abstract
<jats:p>Silicate perovskite, with the mineral name bridgmanite, is the most abundant mineral in the Earth’s lower mantle. We investigated crystal structures and equations of state of two perovskite-type Fe<jats:sup>3+</jats:sup>-rich phases, FeMg<jats:sub>0.5</jats:sub>Si<jats:sub>0.5</jats:sub>O<jats:sub>3</jats:sub> and Fe<jats:sub>0.5</jats:sub>Mg<jats:sub>0.5</jats:sub>Al<jats:sub>0.5</jats:sub>Si<jats:sub>0.5</jats:sub>O<jats:sub>3</jats:sub>, at high pressures, employing single-crystal X-ray diffraction and synchrotron Mössbauer spectroscopy. We solved their crystal structures at high pressures and found that the FeMg<jats:sub>0.5</jats:sub>Si<jats:sub>0.5</jats:sub>O<jats:sub>3</jats:sub> phase adopts a novel monoclinic double-perovskite structure with the space group of <jats:italic>P21/n</jats:italic> at pressures above 12 GPa, whereas the Fe<jats:sub>0.5</jats:sub>Mg<jats:sub>0.5</jats:sub>Al<jats:sub>0.5</jats:sub>Si<jats:sub>0.5</jats:sub>O<jats:sub>3</jats:sub> phase adopts an orthorhombic perovskite structure with the space group of <jats:italic>Pnma</jats:italic> at pressures above 8 GPa. The pressure induces an iron spin transition for Fe<jats:sup>3+</jats:sup> in a (Fe<jats:sub>0.7</jats:sub>,Mg<jats:sub>0.3</jats:sub>)O<jats:sub>6</jats:sub> octahedral site of the FeMg<jats:sub>0.5</jats:sub>Si<jats:sub>0.5</jats:sub>O<jats:sub>3</jats:sub> phase at pressures higher than 40 GPa. No iron spin transition was observed for the Fe<jats:sub>0.5</jats:sub>Mg<jats:sub>0.5</jats:sub>Al<jats:sub>0.5</jats:sub>Si<jats:sub>0.5</jats:sub>O<jats:sub>3</jats:sub> phase as all Fe<jats:sup>3+</jats:sup> ions are located in bicapped prism sites, which have larger volumes than an octahedral site of (Al<jats:sub>0.5</jats:sub>,Si<jats:sub>0.5</jats:sub>)O<jats:sub>6</jats:sub>.</jats:p>