Li2S is Cotunnite structured and crystallizes in the orthorhombic Pnma 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 corner and edge-sharing LiS4 tetrahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to five equivalent S(1) atoms. S(1) is bonded in a 9-coordinate geometry to four equivalent Li(1) and five equivalent Li(2) atoms.
Li2S is Cotunnite structured and crystallizes in the orthorhombic Pnma 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 corner and edge-sharing LiS4 tetrahedra. There are a spread of Li(1)-S(1) bond distances ranging from 2.39-2.44 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to five equivalent S(1) atoms. There are a spread of Li(2)-S(1) bond distances ranging from 2.47-2.86 Å. S(1) is bonded in a 9-coordinate geometry to four equivalent Li(1) and five equivalent Li(2) atoms.