Li7(SbS)2 crystallizes in the triclinic P-1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Sb(1), one Sb(2), and two equivalent S(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent Sb(1), one S(1), and one S(2) atom. In the third Li site, Li(3) is bonded in a 1-coordinate geometry to one Sb(1), one Sb(2), one S(1), and one S(2) atom. In the fourth Li site, Li(4) is bonded in a 1-coordinate geometry to one Sb(1), three equivalent Sb(2), and one S(2) atom. In the fifth Li site, Li(5) is bonded to one Sb(2), one S(1), and two equivalent S(2) atoms to form distorted edge-sharing LiSbS3 tetrahedra. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(2), and two equivalent S(1) atoms. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one Sb(2), one S(1), and two equivalent S(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(6), two equivalent Li(2), one Sb(1), and one Sb(2) atom. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), one Li(7), three equivalent Li(4), and one Sb(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one Li(5), one Li(7), two equivalent Li(1), and two equivalent Li(6) atoms. In the second S site, S(2) is bonded to one Li(2), one Li(3), one Li(4), two equivalent Li(5), and two equivalent Li(7) atoms to form edge-sharing SLi7 pentagonal bipyramids.
Li7(SbS)2 crystallizes in the triclinic P-1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Sb(1), one Sb(2), and two equivalent S(1) atoms. The Li(1)-Sb(1) bond length is 3.12 Å. The Li(1)-Sb(2) bond length is 2.95 Å. There is one shorter (2.46 Å) and one longer (2.51 Å) Li(1)-S(1) bond length. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent Sb(1), one S(1), and one S(2) atom. There is one shorter (2.88 Å) and one longer (2.90 Å) Li(2)-Sb(1) bond length. The Li(2)-S(1) bond length is 2.48 Å. The Li(2)-S(2) bond length is 2.36 Å. In the third Li site, Li(3) is bonded in a 1-coordinate geometry to one Sb(1), one Sb(2), one S(1), and one S(2) atom. The Li(3)-Sb(1) bond length is 2.95 Å. The Li(3)-Sb(2) bond length is 3.21 Å. The Li(3)-S(1) bond length is 2.83 Å. The Li(3)-S(2) bond length is 2.41 Å. In the fourth Li site, Li(4) is bonded in a 1-coordinate geometry to one Sb(1), three equivalent Sb(2), and one S(2) atom. The Li(4)-Sb(1) bond length is 3.33 Å. There are a spread of Li(4)-Sb(2) bond distances ranging from 2.79-3.17 Å. The Li(4)-S(2) bond length is 2.41 Å. In the fifth Li site, Li(5) is bonded to one Sb(2), one S(1), and two equivalent S(2) atoms to form distorted edge-sharing LiSbS3 tetrahedra. The Li(5)-Sb(2) bond length is 2.82 Å. The Li(5)-S(1) bond length is 2.44 Å. There is one shorter (2.39 Å) and one longer (2.41 Å) Li(5)-S(2) bond length. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(2), and two equivalent S(1) atoms. The Li(6)-Sb(1) bond length is 2.85 Å. The Li(6)-Sb(2) bond length is 2.72 Å. There is one shorter (2.40 Å) and one longer (2.44 Å) Li(6)-S(1) bond length. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one Sb(2), one S(1), and two equivalent S(2) atoms. The Li(7)-Sb(2) bond length is 2.95 Å. The Li(7)-S(1) bond length is 2.44 Å. There is one shorter (2.43 Å) and one longer (2.45 Å) Li(7)-S(2) bond length. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(6), two equivalent Li(2), one Sb(1), and one Sb(2) atom. The Sb(1)-Sb(1) bond length is 2.98 Å. The Sb(1)-Sb(2) bond length is 2.93 Å. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), one Li(7), three equivalent Li(4), and one Sb(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one Li(5), one Li(7), two equivalent Li(1), and two equivalent Li(6) atoms. In the second S site, S(2) is bonded to one Li(2), one Li(3), one Li(4), two equivalent Li(5), and two equivalent Li(7) atoms to form edge-sharing SLi7 pentagonal bipyramids.