Mo3S4 crystallizes in the trigonal R-3 space group. Mo(1) is bonded to one S(2) and four equivalent S(1) 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(2) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the second S site, S(1) is bonded in a 4-coordinate geometry to four equivalent Mo(1) atoms.
Mo3S4 crystallizes in the trigonal R-3 space group. Mo(1) is bonded to one S(2) and four equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. The Mo(1)-S(2) bond length is 2.43 Å. There are three shorter (2.44 Å) and one longer (2.45 Å) Mo(1)-S(1) bond length. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the second S site, S(1) is bonded in a 4-coordinate geometry to four equivalent Mo(1) atoms.