Materials Data on LiSbWO6 by Materials Project

Abstract

LiSbWO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded in a hexagonal planar geometry to six O2- atoms. There are two shorter (2.53 Å) and four longer (2.58 Å) Li–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 34–43°. There is four shorter (1.93 Å) and two longer (1.94 Å) W–O bond length. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 43–52°. There is four shorter (1.99 Å) and two longer (2.00 Å) Sb–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one W6+, and one Sb5+ atom. In the second O2- site, O2- is bonded to two equivalent Li1+ and two equivalent Sb5+ atoms to form distorted corner-sharing OLi2Sb2 tetrahedra. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms.