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DOE OSTI · 1721240

Materials Data on MgBiO3 by Materials Project

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Abstract

MgBiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent BiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 1.97 Å. Bi is bonded to twelve equivalent O atoms to form BiO12 cuboctahedra that share corners with twelve equivalent BiO12 cuboctahedra, faces with six equivalent BiO12 cuboctahedra, and faces with eight equivalent MgO6 octahedra. All Bi–O bond lengths are 2.78 Å. O is bonded in a linear geometry to two equivalent Mg and four equivalent Bi atoms.

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36 MATERIALS SCIENCEBi-Mg-Ocrystal structureMgBiO3

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2020-05-04. Materials Data on MgBiO3 by Materials Project. https://doi.org/10.17188/1721240

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