Materials Data on V(BiO3)2 by Materials Project

Abstract

V(BiO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. V4+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent BiO6 pentagonal pyramids. There are a spread of V–O bond distances ranging from 1.73–1.76 Å. There are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.86 Å. In the second Bi4+ site, Bi4+ is bonded to six O2- atoms to form distorted BiO6 pentagonal pyramids that share corners with four equivalent VO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.17–2.66 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V4+ and two Bi4+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Bi4+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Bi4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one V4+ and one Bi4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V4+ and one Bi4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one V4+ and two Bi4+ atoms.