Materials Data on VCrSbO6 by Materials Project

Abstract

CrSbVO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent CrO6 octahedra, corners with four equivalent SbO6 octahedra, an edgeedge with one CrO6 octahedra, and an edgeedge with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There is two shorter (1.96 Å) and four longer (1.97 Å) V–O bond length. Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent VO6 octahedra, corners with four equivalent SbO6 octahedra, an edgeedge with one VO6 octahedra, and an edgeedge with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are four shorter (2.01 Å) and two longer (2.03 Å) Cr–O bond lengths. Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent VO6 octahedra, corners with four equivalent CrO6 octahedra, an edgeedge with one VO6 octahedra, and an edgeedge with one CrO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are four shorter (2.01 Å) and two longer (2.02 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+, one Cr4+, and one Sb3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+, one Cr4+, and one Sb3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+, one Cr4+, and one Sb3+ atom.