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DOE OSTI · 1699285

Materials Data on CsAuO3 by Materials Project

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Abstract

CsAuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent AuO6 octahedra. All Cs–O bond lengths are 3.03 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 CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–O bond lengths are 2.14 Å. O2- is bonded to four equivalent Cs1+ and two equivalent Au5+ atoms to form a mixture of distorted face, edge, and corner-sharing OCs4Au2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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36 MATERIALS SCIENCEAu-Cs-Ocrystal structureCsAuO3

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2020-05-03. Materials Data on CsAuO3 by Materials Project. https://doi.org/10.17188/1699285

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