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DOE OSTI · 1289139

Materials Data on Li3BiO3 by Materials Project

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Abstract

Li3BiO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Li–O bond lengths are 1.91 Å. In the second Li1+ site, Li1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Li–O bond lengths are 2.02 Å. In the third Li1+ site, Li1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Li–O bond lengths are 2.06 Å. Bi3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Bi–O bond lengths are 2.16 Å. O2- is bonded in a 4-coordinate geometry to three Li1+ and one Bi3+ atom.

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36 MATERIALS SCIENCEBi-Li-Ocrystal structureLi3BiO3

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2020-05-03. Materials Data on Li3BiO3 by Materials Project. https://doi.org/10.17188/1289139

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