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DOE OSTI · 1314148

Materials Data on FePbO3 by Materials Project

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Abstract

PbFeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 1.97 Å. Pb4+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. All Pb–O bond lengths are 2.79 Å. O2- is bonded in a linear geometry to two equivalent Fe2+ and four equivalent Pb4+ atoms.

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36 MATERIALS SCIENCEcrystal structureFe-O-PbFePbO3

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2020-05-03. Materials Data on FePbO3 by Materials Project. https://doi.org/10.17188/1314148

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