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DOE OSTI · 1315321

Materials Data on PrBiO3 by Materials Project

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Abstract

PrBiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent O2- atoms to form distorted PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, and faces with eight equivalent BiO6 octahedra. All Pr–O bond lengths are 3.15 Å. Bi3+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.22 Å. O2- is bonded in a linear geometry to four equivalent Pr3+ and two equivalent Bi3+ atoms.

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36 MATERIALS SCIENCEBi-O-Prcrystal structurePrBiO3

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2020-07-23. Materials Data on PrBiO3 by Materials Project. https://doi.org/10.17188/1315321

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