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DOE OSTI · 1651562

Materials Data on BeAuO3 by Materials Project

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Abstract

BeAuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent AuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.79 Å. Au is bonded to twelve equivalent O atoms to form AuO12 cuboctahedra that share corners with twelve equivalent AuO12 cuboctahedra, faces with six equivalent AuO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Au–O bond lengths are 2.53 Å. O is bonded in a linear geometry to two equivalent Be and four equivalent Au atoms.

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2020-07-24. Materials Data on BeAuO3 by Materials Project. https://doi.org/10.17188/1651562

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