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DOE OSTI · 1686440

Materials Data on PrCuO3 by Materials Project

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Abstract

PrCuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr4+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Pr–O bond lengths are 2.72 Å. Cu2+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.92 Å. O2- is bonded in a distorted linear geometry to four equivalent Pr4+ and two equivalent Cu2+ atoms.

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36 MATERIALS SCIENCEcrystal structureCu-O-PrPrCuO3

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2020-05-04. Materials Data on PrCuO3 by Materials Project. https://doi.org/10.17188/1686440

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