K(Mo3S4)2 crystallizes in the trigonal R-3 space group. K(1) is bonded in a body-centered cubic geometry to two equivalent S(1) and six equivalent S(2) atoms. Mo(1) is bonded to one S(1) and four equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one K(1) and three equivalent Mo(1) atoms. In the second S site, S(2) is bonded to one K(1) and four equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing SKMo4 trigonal bipyramids.
K(Mo3S4)2 crystallizes in the trigonal R-3 space group. K(1) is bonded in a body-centered cubic geometry to two equivalent S(1) and six equivalent S(2) atoms. Both K(1)-S(1) bond lengths are 2.87 Å. All K(1)-S(2) bond lengths are 3.28 Å. Mo(1) is bonded to one S(1) and four 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 2.39 Å. There are a spread of Mo(1)-S(2) bond distances ranging from 2.46-2.55 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one K(1) and three equivalent Mo(1) atoms. In the second S site, S(2) is bonded to one K(1) and four equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing SKMo4 trigonal bipyramids.