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DOE OSTI · 1730120

Materials Data on Ba3NaSbO6 by Materials Project

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Abstract

Ba3NaSbO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.48 Å. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.71–3.02 Å. Sb5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.05 Å. O2- is bonded to one Na1+, four equivalent Ba2+, and one Sb5+ atom to form a mixture of distorted face, edge, and corner-sharing OBa4NaSb octahedra. The corner-sharing octahedra tilt angles range from 0–61°.

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36 MATERIALS SCIENCEBa-Na-O-SbBa3NaSbO6crystal structure

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2020-05-09. Materials Data on Ba3NaSbO6 by Materials Project. https://doi.org/10.17188/1730120

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