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DOE OSTI · 1727587

Materials Data on SrAuO3 by Materials Project

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Abstract

SrAuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent AuO6 octahedra. All Sr–O bond lengths are 2.92 Å. Au is bonded to six equivalent O atoms to form AuO6 octahedra that share corners with six equivalent AuO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–O bond lengths are 2.07 Å. O is bonded to four equivalent Sr and two equivalent Au atoms to form a mixture of edge, corner, and face-sharing OSr4Au2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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36 MATERIALS SCIENCEAu-O-Srcrystal structureSrAuO3

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2020-05-03. Materials Data on SrAuO3 by Materials Project. https://doi.org/10.17188/1727587

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