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DOE OSTI · 1688958

Materials Data on VBiO3 by Materials Project

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Abstract

BiVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent BiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.97 Å. Bi3+ is bonded to twelve equivalent O2- atoms to form BiO12 cuboctahedra that share corners with twelve equivalent BiO12 cuboctahedra, faces with six equivalent BiO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Bi–O bond lengths are 2.79 Å. O2- is bonded in a distorted linear geometry to two equivalent V3+ and four equivalent Bi3+ atoms.

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36 MATERIALS SCIENCEBi-O-Vcrystal structureVBiO3

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2020-05-02. Materials Data on VBiO3 by Materials Project. https://doi.org/10.17188/1688958

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36 MATERIALS SCIENCE↗