Materials Data on V2SnO7 by Materials Project

Abstract

V2SnO7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SnO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. There is three shorter (1.72 Å) and one longer (1.79 Å) V–O bond length. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent VO4 tetrahedra. All Sn–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to one V5+ and one Sn4+ atom.