Materials Data on Bi12PO20 by Materials Project

Bi12PO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Bi+2.92+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.84 Å. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.57 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+2.92+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+2.92+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Bi+2.92+ and one P5+ atom.