SnMo6S8 crystallizes in the triclinic P-1 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one Sn(1), one S(2), two equivalent S(1), and two equivalent S(4) atoms. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to one Sn(1), one S(1), one S(2), and one S(4) atom. In the third Mo site, Mo(3) is bonded in a 4-coordinate geometry to one Sn(1), one S(2), one S(3), and two equivalent S(4) atoms. Sn(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(3), two equivalent S(1), and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent Mo(1), and one Sn(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), and one Sn(1) atom. In the third S site, S(3) is bonded in a water-like geometry to one Mo(3) and one S(3) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Mo(2), two equivalent Mo(1), and two equivalent Mo(3) atoms.
SnMo6S8 crystallizes in the triclinic P-1 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one Sn(1), one S(2), two equivalent S(1), and two equivalent S(4) atoms. The Mo(1)-Sn(1) bond length is 3.32 Å. The Mo(1)-S(2) bond length is 2.39 Å. There is one shorter (2.40 Å) and one longer (2.45 Å) Mo(1)-S(1) bond length. There is one shorter (2.46 Å) and one longer (2.79 Å) Mo(1)-S(4) bond length. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to one Sn(1), one S(1), one S(2), and one S(4) atom. The Mo(2)-Sn(1) bond length is 2.91 Å. The Mo(2)-S(1) bond length is 2.38 Å. The Mo(2)-S(2) bond length is 2.32 Å. The Mo(2)-S(4) bond length is 2.31 Å. In the third Mo site, Mo(3) is bonded in a 4-coordinate geometry to one Sn(1), one S(2), one S(3), and two equivalent S(4) atoms. The Mo(3)-Sn(1) bond length is 3.20 Å. The Mo(3)-S(2) bond length is 2.37 Å. The Mo(3)-S(3) bond length is 2.37 Å. There is one shorter (2.40 Å) and one longer (2.52 Å) Mo(3)-S(4) bond length. Sn(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(3), two equivalent S(1), and two equivalent S(2) atoms. Both Sn(1)-S(1) bond lengths are 2.88 Å. Both Sn(1)-S(2) bond lengths are 3.12 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent Mo(1), and one Sn(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), and one Sn(1) atom. In the third S site, S(3) is bonded in a water-like geometry to one Mo(3) and one S(3) atom. The S(3)-S(3) bond length is 2.05 Å. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Mo(2), two equivalent Mo(1), and two equivalent Mo(3) atoms.