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DOE OSTI · 1349844

Materials Data on BaRuO3 by Materials Project

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Abstract

BaRuO3 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 RuO6 octahedra. All Ba–O bond lengths are 2.87 Å. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 2.03 Å. O2- is bonded to four equivalent Ba2+ and two equivalent Ru4+ atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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36 MATERIALS SCIENCEBa-O-RuBaRuO3crystal structure

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2020-07-23. Materials Data on BaRuO3 by Materials Project. https://doi.org/10.17188/1349844

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