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DOE OSTI · 1724958

Materials Data on BAuO3 by Materials Project

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Abstract

AuBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au3+ is bonded to twelve equivalent O2- atoms to form AuO12 cuboctahedra that share corners with twelve equivalent AuO12 cuboctahedra, faces with six equivalent AuO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Au–O bond lengths are 2.47 Å. B3+ is bonded to six equivalent O2- atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent AuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.75 Å. O2- is bonded in a linear geometry to four equivalent Au3+ and two equivalent B3+ atoms.

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36 MATERIALS SCIENCEAu-B-OBAuO3crystal structure

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2020-05-05. Materials Data on BAuO3 by Materials Project. https://doi.org/10.17188/1724958

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