Materials Data on Bi13O20 by Materials Project

Abstract

Bi13O20 crystallizes in the cubic I23 space group. The structure is three-dimensional. there are two inequivalent Bi+3.08+ sites. In the first Bi+3.08+ site, Bi+3.08+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight equivalent BiO5 square pyramids, a cornercorner with one BiO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.61 Å. In the second Bi+3.08+ site, Bi+3.08+ is bonded to four equivalent O2- atoms to form corner-sharing BiO4 tetrahedra. All Bi–O bond lengths are 2.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.08+ atoms. In the second O2- site, O2- is bonded to four Bi+3.08+ atoms to form corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+3.08+ atoms.