LiS crystallizes in the tetragonal I-42m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent S(1) atoms to form distorted corner-sharing LiS4 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent S(1) atoms to form distorted corner-sharing LiS4 trigonal pyramids. S(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one S(1) atom.
LiS crystallizes in the tetragonal I-42m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent S(1) atoms to form distorted corner-sharing LiS4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.72 Å) Li(1)-S(1) bond lengths. In the second Li site, Li(2) is bonded to four equivalent S(1) atoms to form distorted corner-sharing LiS4 trigonal pyramids. All Li(2)-S(1) bond lengths are 2.47 Å. S(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one S(1) atom. The S(1)-S(1) bond length is 2.13 Å.