Materials Data on K3VO4 by Materials Project

Abstract

K3VO4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent O2- atoms to form KO4 tetrahedra that share corners with four equivalent KO4 tetrahedra, corners with four equivalent VO4 tetrahedra, and corners with four equivalent KO4 trigonal pyramids. All K–O bond lengths are 2.63 Å. In the second K1+ site, K1+ is bonded to four equivalent O2- atoms to form distorted KO4 trigonal pyramids that share corners with four equivalent VO4 tetrahedra and corners with eight equivalent KO4 tetrahedra. All K–O bond lengths are 2.76 Å. V5+ is bonded to four equivalent O2- atoms to form VO4 tetrahedra that share corners with eight equivalent KO4 tetrahedra and corners with four equivalent KO4 trigonal pyramids. All V–O bond lengths are 1.76 Å. O2- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one V5+ atom.