Materials Data on VPO4 by Materials Project
VPO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with two equivalent VO6 octahedra. There are two shorter (1.96 Å) and four longer (2.13 Å) V–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–53°. There is two shorter (1.53 Å) and two longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V3+ and one P5+ atom.