Materials Data on LiSbWO7 by Materials Project

Abstract

LiWSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li is bonded in a distorted linear geometry to four O atoms. There are two shorter (1.95 Å) and two longer (2.55 Å) Li–O bond lengths. W is bonded to six O 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 34–41°. There is four shorter (1.94 Å) and two longer (1.95 Å) W–O bond length. Sb is bonded to six O 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 41–49°. There are four shorter (1.99 Å) and two longer (2.03 Å) Sb–O bond lengths. There are four inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Li atoms. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one W and one Sb atom. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the fourth O site, O is bonded in a 4-coordinate geometry to two equivalent Li and two equivalent Sb atoms.