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DOE OSTI · 1475969

Materials Data on MgFeO3 by Materials Project

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Abstract

MgFeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent O atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. All Mg–O bond lengths are 2.66 Å. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 1.88 Å. O is bonded in a distorted linear geometry to four equivalent Mg and two equivalent Fe atoms.

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36 MATERIALS SCIENCEcrystal structureFe-Mg-OMgFeO3

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2020-05-03. Materials Data on MgFeO3 by Materials Project. https://doi.org/10.17188/1475969

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