K(Mo6S7)2 crystallizes in the trigonal P-31c space group. K(1) is bonded in a body-centered cubic geometry to two equivalent S(3) and six equivalent S(1) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted see-saw-like geometry to one S(2) and three equivalent S(1) atoms. In the second Mo site, Mo(2) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are three inequivalent S sites. In the first S site, S(3) is bonded in a 4-coordinate geometry to one K(1) and three equivalent Mo(2) atoms. In the second S site, S(1) is bonded in a distorted pentagonal planar geometry to one K(1), one Mo(2), and three equivalent Mo(1) atoms. In the third S site, S(2) is bonded in a 4-coordinate geometry to one Mo(1) and three equivalent Mo(2) atoms.
K(Mo6S7)2 crystallizes in the trigonal P-31c space group. K(1) is bonded in a body-centered cubic geometry to two equivalent S(3) and six equivalent S(1) atoms. Both K(1)-S(3) bond lengths are 3.00 Å. All K(1)-S(1) bond lengths are 3.38 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted see-saw-like geometry to one S(2) and three equivalent S(1) atoms. The Mo(1)-S(2) bond length is 2.44 Å. There are a spread of Mo(1)-S(1) bond distances ranging from 2.47-2.57 Å. In the second Mo site, Mo(2) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. The Mo(2)-S(1) bond length is 2.64 Å. The Mo(2)-S(3) bond length is 2.40 Å. All Mo(2)-S(2) bond lengths are 2.46 Å. There are three inequivalent S sites. In the first S site, S(3) is bonded in a 4-coordinate geometry to one K(1) and three equivalent Mo(2) atoms. In the second S site, S(1) is bonded in a distorted pentagonal planar geometry to one K(1), one Mo(2), and three equivalent Mo(1) atoms. In the third S site, S(2) is bonded in a 4-coordinate geometry to one Mo(1) and three equivalent Mo(2) atoms.