Materials Data on Bi12SbO20 by Materials Project

Abstract

Bi12SbO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Bi+2.92+ 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 SbO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.12–2.65 Å. Sb5+ is bonded to four equivalent O2- atoms to form SbO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Sb–O bond lengths are 2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Bi+2.92+ and one Sb5+ atom to form corner-sharing OBi3Sb tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+2.92+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+2.92+ atoms.