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DOE OSTI · 1666468

Materials Data on Ba2SrUO6 by Materials Project

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Abstract

Ba2SrUO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.72–3.27 Å. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedral tilt angles are 25°. All Sr–O bond lengths are 2.48 Å. U6+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 25°. All U–O bond lengths are 2.10 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+, one Sr2+, and one U6+ atom.

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36 MATERIALS SCIENCEBa-O-Sr-UBa2SrUO6crystal structure

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2020-07-16. Materials Data on Ba2SrUO6 by Materials Project. https://doi.org/10.17188/1666468

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