Materials Data on VBiO5 by Materials Project
BiOVO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one BiOVO4 sheet oriented in the (1, 0, 0) direction. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent BiO6 octahedra and an edgeedge with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 31–60°. There are a spread of V–O bond distances ranging from 1.70–1.78 Å. Bi5+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with two equivalent VO4 tetrahedra, an edgeedge with one BiO6 octahedra, and an edgeedge with one VO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.16–2.36 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Bi5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Bi5+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one V5+ and one Bi5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Bi5+ atoms. In the fifth O2- site, O2- is bonded in a distorted L-shaped geometry to one V5+ and one Bi5+ atom.