Materials Data on K2SrV4O12 by Materials Project
K2Sr(VO3)4 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. K1+ is bonded to six O2- atoms to form KO6 octahedra that share corners with eight equivalent VO4 tetrahedra. There are four shorter (2.76 Å) and two longer (2.93 Å) K–O bond lengths. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.64 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent KO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 59–72°. There is two shorter (1.68 Å) and two longer (1.83 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Sr2+, and one V5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two equivalent V5+ atoms.