Materials Data on Bi12BO20 by Materials Project
BBi12O20 crystallizes in the cubic I23 space group. The structure is three-dimensional. B3+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All B–O bond lengths are 1.51 Å. Bi+3.08+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Bi+3.08+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Bi+3.08+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three equivalent Bi+3.08+ atoms.
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