Materials Data on LiSO4 by Materials Project

Abstract

LiSO4 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with four equivalent SO4 tetrahedra. There is one shorter (1.96 Å) and three longer (1.97 Å) Li–O bond length. S is bonded to four O atoms to form SO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There is three shorter (1.48 Å) and one longer (1.50 Å) S–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to one Li and one S atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Li and one S atom.