Materials Data on Li2V3SnO8 by Materials Project

Abstract

Li2V3SnO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent SnO6 octahedra and corners with nine equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 58–61°. There are three shorter (2.01 Å) and one longer (2.22 Å) Li–O bond lengths. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent SnO6 octahedra, and edges with four equivalent VO6 octahedra. There are two shorter (2.00 Å) and four longer (2.05 Å) V–O bond lengths. Sn2+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent VO6 octahedra. All Sn–O bond lengths are 2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and three equivalent V4+ atoms to form distorted OLiV3 tetrahedra that share corners with three equivalent OLiV3 tetrahedra, corners with nine equivalent OLiV2Sn trigonal pyramids, and edges with three equivalent OLiV2Sn trigonal pyramids. In the second O2- site, O2- is bonded to one Li1+, two equivalent V4+, and one Sn2+ atom to form distorted OLiV2Sn trigonal pyramids that share corners with three equivalent OLiV3 tetrahedra, corners with nine equivalent OLiV2Sn trigonal pyramids, an edgeedge with one OLiV3 tetrahedra, and edges with two equivalent OLiV2Sn trigonal pyramids.