YbMo6S8 crystallizes in the triclinic P-1 space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent Mo(3), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one Mo(3), one S(1), one S(3), and two equivalent S(4) atoms. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one Mo(3), one S(1), one S(4), and two equivalent S(2) atoms. In the third Mo site, Mo(3) is bonded in a 8-coordinate geometry to one Yb(1), one Mo(1), one Mo(2), one Mo(3), one S(2), one S(3), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Yb(1), one Mo(1), and one Mo(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Yb(1), one Mo(3), and two equivalent Mo(2) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Yb(1), one Mo(1), and one Mo(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.
YbMo6S8 crystallizes in the triclinic P-1 space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent Mo(3), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. Both Yb(1)-Mo(3) bond lengths are 3.03 Å. Both Yb(1)-S(1) bond lengths are 2.98 Å. Both Yb(1)-S(2) bond lengths are 2.79 Å. Both Yb(1)-S(3) bond lengths are 2.77 Å. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one Mo(3), one S(1), one S(3), and two equivalent S(4) atoms. The Mo(1)-Mo(3) bond length is 2.73 Å. The Mo(1)-S(1) bond length is 2.38 Å. The Mo(1)-S(3) bond length is 2.45 Å. There is one shorter (2.38 Å) and one longer (2.56 Å) Mo(1)-S(4) bond length. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one Mo(3), one S(1), one S(4), and two equivalent S(2) atoms. The Mo(2)-Mo(3) bond length is 2.86 Å. The Mo(2)-S(1) bond length is 2.29 Å. The Mo(2)-S(4) bond length is 2.70 Å. There is one shorter (2.44 Å) and one longer (2.47 Å) Mo(2)-S(2) bond length. In the third Mo site, Mo(3) is bonded in a 8-coordinate geometry to one Yb(1), one Mo(1), one Mo(2), one Mo(3), one S(2), one S(3), and two equivalent S(4) atoms. The Mo(3)-Mo(3) bond length is 2.32 Å. The Mo(3)-S(2) bond length is 2.37 Å. The Mo(3)-S(3) bond length is 2.29 Å. There is one shorter (2.48 Å) and one longer (2.67 Å) Mo(3)-S(4) bond length. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Yb(1), one Mo(1), and one Mo(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Yb(1), one Mo(3), and two equivalent Mo(2) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Yb(1), one Mo(1), and one Mo(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.