U(Mo3S4)2 crystallizes in the triclinic P-1 space group. U(1) is bonded in a body-centered cubic geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(1), one S(2), one S(4), and two equivalent S(3) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. In the second Mo site, Mo(2) is bonded to one S(1), one S(2), one S(3), and two equivalent S(4) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. In the third Mo site, Mo(3) is bonded to one S(1), one S(3), one S(4), and two equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one U(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the second S site, S(2) is bonded in a distorted pentagonal planar geometry to one U(1), one Mo(1), one Mo(2), and two equivalent Mo(3) atoms. In the third S site, S(3) is bonded in a distorted pentagonal planar geometry to one U(1), one Mo(2), one Mo(3), and two equivalent Mo(1) atoms. In the fourth S site, S(4) is bonded in a distorted pentagonal planar geometry to one U(1), one Mo(1), one Mo(3), and two equivalent Mo(2) atoms.
U(Mo3S4)2 crystallizes in the triclinic P-1 space group. U(1) is bonded in a body-centered cubic geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Both U(1)-S(1) bond lengths are 2.76 Å. Both U(1)-S(2) bond lengths are 2.98 Å. Both U(1)-S(3) bond lengths are 2.97 Å. Both U(1)-S(4) bond lengths are 2.97 Å. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(1), one S(2), one S(4), and two equivalent S(3) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. The Mo(1)-S(1) bond length is 2.40 Å. The Mo(1)-S(2) bond length is 2.44 Å. The Mo(1)-S(4) bond length is 2.46 Å. There is one shorter (2.55 Å) and one longer (2.60 Å) Mo(1)-S(3) bond length. In the second Mo site, Mo(2) is bonded to one S(1), one S(2), one S(3), and two equivalent S(4) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. The Mo(2)-S(1) bond length is 2.40 Å. The Mo(2)-S(2) bond length is 2.46 Å. The Mo(2)-S(3) bond length is 2.44 Å. There is one shorter (2.56 Å) and one longer (2.60 Å) Mo(2)-S(4) bond length. In the third Mo site, Mo(3) is bonded to one S(1), one S(3), one S(4), and two equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. The Mo(3)-S(1) bond length is 2.40 Å. The Mo(3)-S(3) bond length is 2.46 Å. The Mo(3)-S(4) bond length is 2.44 Å. There is one shorter (2.55 Å) and one longer (2.60 Å) Mo(3)-S(2) bond length. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one U(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the second S site, S(2) is bonded in a distorted pentagonal planar geometry to one U(1), one Mo(1), one Mo(2), and two equivalent Mo(3) atoms. In the third S site, S(3) is bonded in a distorted pentagonal planar geometry to one U(1), one Mo(2), one Mo(3), and two equivalent Mo(1) atoms. In the fourth S site, S(4) is bonded in a distorted pentagonal planar geometry to one U(1), one Mo(1), one Mo(3), and two equivalent Mo(2) atoms.