Bi12PO20 crystallizes in the cubic I23 space group. Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Bi(1) and one P(1) atom.
Bi12PO20 crystallizes in the cubic I23 space group. Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. The Bi(1)-O(1) bond length is 2.23 Å. The Bi(1)-O(3) bond length is 2.80 Å. There are a spread of Bi(1)-O(2) bond distances ranging from 2.13-2.56 Å. P(1) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. All P(1)-O(3) bond lengths are 1.55 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Bi(1) and one P(1) atom.