MoS2 is Molybdenite-like structured and crystallizes in the cubic F-43m space group. Mo(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted edge-sharing MoS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo(1) atoms.
MoS2 is Molybdenite-like structured and crystallizes in the cubic F-43m space group. Mo(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted edge-sharing MoS6 octahedra. All Mo(1)-S(1) bond lengths are 2.37 Å. All Mo(1)-S(2) bond lengths are 2.51 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo(1) atoms.