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DOE OSTI · 1267560

Materials Data on Ba2PrNbO6 by Materials Project

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Abstract

Ba2PrNbO6 is Orthorhombic Perovskite-derived structured and 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 2.74–3.13 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 19°. All Pr–O bond lengths are 2.38 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 19°. All Nb–O bond lengths are 2.04 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+, one Pr3+, and one Nb5+ atom.

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36 MATERIALS SCIENCEBa-Nb-O-PrBa2PrNbO6crystal structure

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2020-07-16. Materials Data on Ba2PrNbO6 by Materials Project. https://doi.org/10.17188/1267560

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