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DOE OSTI · 1744832

Materials Data on KAuO3 by Materials Project

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Abstract

KAuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent AuO6 octahedra. All K–O bond lengths are 2.94 Å. Au5+ is bonded to six equivalent O2- atoms to form AuO6 octahedra that share corners with six equivalent AuO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–O bond lengths are 2.08 Å. O2- is bonded to four equivalent K1+ and two equivalent Au5+ atoms to form a mixture of distorted face, edge, and corner-sharing OK4Au2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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36 MATERIALS SCIENCEAu-K-Ocrystal structureKAuO3

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2020-05-02. Materials Data on KAuO3 by Materials Project. https://doi.org/10.17188/1744832

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