Crystal structure of Ca(Fe<sub>0.4</sub>Si<sub>0.6</sub>)O<sub>2.8</sub> oxygen-deficient perovskite

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Abstract

<p>The crystal structure of Ca(Fe3+0.4Si0.6)O2.8 oxygen-deficient perovskite phase synthesized at 12 GPa and 1400 °C was studied using synchrotron powder X-ray diffraction. The phase is isostructural to low-pressure phase of Ca(Al0.4Si0.6)O2.8. The structure was refined by the Rietveld method and is consists of a perovskite-like triple-layer of corner-shared (Fe3+,Si)O6 octahedra and a double-layer of SiO4 tetrahedra those are stacked alternatively in the [111] direction of ideal cubic perovskite. Small degree of Fe3+/Si disorder was detected between two octahedral sites. The structure is compared with other oxygen-deficient perovskites.</p>

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