DOE OSTI2020
V3SnO8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share a cornercorner with one SnO6 octahedra, corners with two equivalent VO6 octahedra, an edgeedge with one VO6 octahedra, and edges with two equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are a spread of V–O bond distances ranging from 1.85–2.10 Å. In the second V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form distorted VO6 octahedra that share a cornercorner with one SnO6 octahedra, corners with two equivalent VO6 octahedra, an edgeedge with one VO6 octahedra, and an edgeedge with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 18–27°. There are a spread of V–O bond distances ranging from 1.74–2.12 Å. In the third V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.38 Å. Sn2+ is bonded to six O2- atoms to form distorted SnO6 octahedra that share corners with two VO6 octahedra, corners with two equivalent SnO6 octahedra, and edges with three VO6 octahedra. The corner-sharing octahedra tilt angles range from 18–34°. There are a spread of Sn–O bond distances ranging from 1.99–2.26 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two V+4.67+ and two equivalent Sn2+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two V+4.67+ and one Sn2+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V+4.67+ and one Sn2+ atom. In the seventh O2- site, O2- is bonded to three V+4.67+ and one Sn2+ atom to form distorted corner-sharing OV3Sn trigonal pyramids. In the eighth O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent V+4.67+ and one Sn2+ atom.