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DOE OSTI · 1748653

Materials Data on UIrO3 by Materials Project

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Abstract

UIrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U3+ is bonded to twelve equivalent O2- atoms to form UO12 cuboctahedra that share corners with twelve equivalent UO12 cuboctahedra, faces with six equivalent UO12 cuboctahedra, and faces with eight equivalent IrO6 octahedra. All U–O bond lengths are 2.84 Å. Ir3+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent UO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 2.00 Å. O2- is bonded in a distorted linear geometry to four equivalent U3+ and two equivalent Ir3+ atoms.

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36 MATERIALS SCIENCEcrystal structureIr-O-UUIrO3

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2020-05-02. Materials Data on UIrO3 by Materials Project. https://doi.org/10.17188/1748653

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