Materials Data on K3CrO4 by Materials Project

Abstract

K3CrO4 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 distorted KO4 tetrahedra that share corners with four equivalent KO4 tetrahedra, corners with four equivalent CrO4 tetrahedra, and corners with four equivalent KO4 trigonal pyramids. All K–O bond lengths are 2.59 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 CrO4 tetrahedra and corners with eight equivalent KO4 tetrahedra. All K–O bond lengths are 3.02 Å. Cr5+ is bonded to four equivalent O2- atoms to form CrO4 tetrahedra that share corners with eight equivalent KO4 tetrahedra and corners with four equivalent KO4 trigonal pyramids. All Cr–O bond lengths are 1.74 Å. O2- is bonded in a 1-coordinate geometry to three K1+ and one Cr5+ atom.