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DOE OSTI · 1692549

Materials Data on CsPdO3 by Materials Project

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Abstract

CsPdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent O atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent PdO6 octahedra. All Cs–O bond lengths are 2.97 Å. Pd is bonded to six equivalent O atoms to form PdO6 octahedra that share corners with six equivalent PdO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–O bond lengths are 2.10 Å. O is bonded to four equivalent Cs and two equivalent Pd atoms to form a mixture of distorted edge, corner, and face-sharing OCs4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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36 MATERIALS SCIENCEcrystal structureCs-O-PdCsPdO3

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2020-05-03. Materials Data on CsPdO3 by Materials Project. https://doi.org/10.17188/1692549

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