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DOE OSTI · 1269284

Materials Data on Ba3NaBiO6 by Materials Project

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Abstract

NaBa3BiO6 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 2.53 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 2.68–3.09 Å. Bi5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Bi–O bond lengths are 2.17 Å. O2- is bonded to one Na1+, four equivalent Ba2+, and one Bi5+ atom to form a mixture of distorted edge, face, and corner-sharing OBa4NaBi octahedra. The corner-sharing octahedra tilt angles range from 0–63°.

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36 MATERIALS SCIENCEBa-Bi-Na-OBa3NaBiO6crystal structure

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2020-07-15. Materials Data on Ba3NaBiO6 by Materials Project. https://doi.org/10.17188/1269284

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