Li5SbS crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Sb(1) and two equivalent S(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to three equivalent Sb(1) and one S(1) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to two equivalent Sb(1) and two equivalent S(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(3), and six equivalent Li(2) atoms. S(1) is bonded in a 8-coordinate geometry to two equivalent Li(2), two equivalent Li(3), and four equivalent Li(1) atoms.
Li5SbS crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Sb(1) and two equivalent S(1) atoms. The Li(1)-Sb(1) bond length is 2.73 Å. There is one shorter (2.38 Å) and one longer (2.41 Å) Li(1)-S(1) bond length. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to three equivalent Sb(1) and one S(1) atom. There are a spread of Li(2)-Sb(1) bond distances ranging from 2.85-2.90 Å. The Li(2)-S(1) bond length is 2.50 Å. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to two equivalent Sb(1) and two equivalent S(1) atoms. Both Li(3)-Sb(1) bond lengths are 3.14 Å. Both Li(3)-S(1) bond lengths are 2.63 Å. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(3), and six equivalent Li(2) atoms. S(1) is bonded in a 8-coordinate geometry to two equivalent Li(2), two equivalent Li(3), and four equivalent Li(1) atoms.