LiSH crystallizes in the tetragonal P4_2/mbc 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 a mixture of edge and corner-sharing LiS4 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent S(1) atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. H(1) is bonded in a single-bond geometry to one S(1) atom. S(1) is bonded to two equivalent Li(1), two equivalent Li(2), and one H(1) atom to form a mixture of distorted edge and corner-sharing SLi4H square pyramids.
LiSH crystallizes in the tetragonal P4_2/mbc 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 a mixture of edge and corner-sharing LiS4 tetrahedra. All Li(1)-S(1) bond lengths are 2.49 Å. In the second Li site, Li(2) is bonded to four equivalent S(1) atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. All Li(2)-S(1) bond lengths are 2.49 Å. H(1) is bonded in a single-bond geometry to one S(1) atom. The H(1)-S(1) bond length is 1.34 Å. S(1) is bonded to two equivalent Li(1), two equivalent Li(2), and one H(1) atom to form a mixture of distorted edge and corner-sharing SLi4H square pyramids.