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DOE OSTI · 1307508

Materials Data on BaOsO3 by Materials Project

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Abstract

BaOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Ba–O bond lengths are 2.87 Å. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 2.03 Å. O2- is bonded to four equivalent Ba2+ and two equivalent Os4+ atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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36 MATERIALS SCIENCEBa-O-OsBaOsO3crystal structure

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2020-07-16. Materials Data on BaOsO3 by Materials Project. https://doi.org/10.17188/1307508

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