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DOE OSTI · 1189264

Materials Data on Ba2LaRuO6 by Materials Project

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Abstract

Ba2LaRuO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.81–3.35 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All La–O bond lengths are 2.36 Å. Ru5+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Ru–O bond lengths are 1.99 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one La3+, and one Ru5+ atom.

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36 MATERIALS SCIENCEBa-La-O-RuBa2LaRuO6crystal structure

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2020-07-16. Materials Data on Ba2LaRuO6 by Materials Project. https://doi.org/10.17188/1189264

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