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DOE OSTI · 1666941

Materials Data on AlVO3 by Materials Project

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Abstract

AlVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V3+ is bonded to twelve equivalent O2- atoms to form VO12 cuboctahedra that share corners with twelve equivalent VO12 cuboctahedra, faces with six equivalent VO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All V–O bond lengths are 2.57 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent VO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.82 Å. O2- is bonded in a distorted linear geometry to four equivalent V3+ and two equivalent Al3+ atoms.

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36 MATERIALS SCIENCEAl-O-VAlVO3crystal structure

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2020-07-24. Materials Data on AlVO3 by Materials Project. https://doi.org/10.17188/1666941

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