Sr(Mo3S4)2 crystallizes in the triclinic P-1 space group. Sr(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(3), one S(4), and two equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the second Mo site, Mo(2) is bonded to one S(2), one S(3), one S(4), and two equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the third Mo site, Mo(3) is bonded to one S(1), one S(2), one S(3), and two equivalent S(4) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Sr(1), one Mo(1), one Mo(3), and two equivalent Mo(2) atoms to form a mixture of distorted corner and edge-sharing SSrMo4 trigonal bipyramids. In the second S site, S(2) is bonded to one Sr(1), one Mo(2), one Mo(3), and two equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing SSrMo4 trigonal bipyramids. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Sr(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the fourth S site, S(4) is bonded to one Sr(1), one Mo(1), one Mo(2), and two equivalent Mo(3) atoms to form a mixture of distorted corner and edge-sharing SSrMo4 trigonal bipyramids.
Sr(Mo3S4)2 crystallizes in the triclinic P-1 space group. Sr(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 Sr(1)-S(1) bond lengths are 3.21 Å. Both Sr(1)-S(2) bond lengths are 3.15 Å. Both Sr(1)-S(3) bond lengths are 2.87 Å. Both Sr(1)-S(4) bond lengths are 3.15 Å. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(1), one S(3), one S(4), and two equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. The Mo(1)-S(1) bond length is 2.45 Å. The Mo(1)-S(3) bond length is 2.37 Å. The Mo(1)-S(4) bond length is 2.47 Å. There is one shorter (2.51 Å) and one longer (2.63 Å) Mo(1)-S(2) bond length. In the second Mo site, Mo(2) is bonded to one S(2), one S(3), one S(4), and two equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. The Mo(2)-S(2) bond length is 2.50 Å. The Mo(2)-S(3) bond length is 2.43 Å. The Mo(2)-S(4) bond length is 2.47 Å. There is one shorter (2.54 Å) and one longer (2.64 Å) Mo(2)-S(1) bond length. In the third Mo site, Mo(3) is bonded to one S(1), one S(2), one S(3), and two equivalent S(4) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. The Mo(3)-S(1) bond length is 2.45 Å. The Mo(3)-S(2) bond length is 2.44 Å. The Mo(3)-S(3) bond length is 2.37 Å. There is one shorter (2.49 Å) and one longer (2.62 Å) Mo(3)-S(4) bond length. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Sr(1), one Mo(1), one Mo(3), and two equivalent Mo(2) atoms to form a mixture of distorted corner and edge-sharing SSrMo4 trigonal bipyramids. In the second S site, S(2) is bonded to one Sr(1), one Mo(2), one Mo(3), and two equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing SSrMo4 trigonal bipyramids. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Sr(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the fourth S site, S(4) is bonded to one Sr(1), one Mo(1), one Mo(2), and two equivalent Mo(3) atoms to form a mixture of distorted corner and edge-sharing SSrMo4 trigonal bipyramids.