Li5SbS crystallizes in the orthorhombic Pnma space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to two equivalent Sb(1) and two equivalent S(1) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent Sb(1) and two equivalent S(1) atoms. In the third Li site, Li(3) is bonded in a distorted single-bond geometry to three equivalent Sb(1) and one S(1) atom. Sb(1) is bonded in a 12-coordinate geometry to two equivalent Li(1), four equivalent Li(2), and six equivalent Li(3) atoms. S(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Li(3), and four equivalent Li(2) atoms.
Li5SbS crystallizes in the orthorhombic Pnma space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to two equivalent Sb(1) and two equivalent S(1) atoms. Both Li(1)-Sb(1) bond lengths are 3.10 Å. There is one shorter (2.63 Å) and one longer (2.72 Å) Li(1)-S(1) bond length. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent Sb(1) and two equivalent S(1) atoms. There is one shorter (2.88 Å) and one longer (3.05 Å) Li(2)-Sb(1) bond length. There is one shorter (2.36 Å) and one longer (2.38 Å) Li(2)-S(1) bond length. In the third Li site, Li(3) is bonded in a distorted single-bond geometry to three equivalent Sb(1) and one S(1) atom. There are a spread of Li(3)-Sb(1) bond distances ranging from 2.90-3.25 Å. The Li(3)-S(1) bond length is 2.33 Å. Sb(1) is bonded in a 12-coordinate geometry to two equivalent Li(1), four equivalent Li(2), and six equivalent Li(3) atoms. S(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Li(3), and four equivalent Li(2) atoms.