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DOE OSTI · 1679085

Materials Data on Ba2CePbO6 by Materials Project

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Abstract

Ba2CePbO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.81 Å) and six longer (3.12 Å) Ba–O bond lengths. Ce4+ is bonded to six equivalent O2- atoms to form CeO6 octahedra that share corners with six equivalent PbO6 octahedra. The corner-sharing octahedral tilt angles are 16°. All Ce–O bond lengths are 2.24 Å. Pb4+ is bonded to six equivalent O2- atoms to form PbO6 octahedra that share corners with six equivalent CeO6 octahedra. The corner-sharing octahedral tilt angles are 16°. All Pb–O bond lengths are 2.21 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+, one Ce4+, and one Pb4+ atom.

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36 MATERIALS SCIENCEBa-Ce-O-PbBa2CePbO6crystal structure

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2020-05-03. Materials Data on Ba2CePbO6 by Materials Project. https://doi.org/10.17188/1679085

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