Materials Data on MoSBr by Materials Project
MoSBr crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo3+ is bonded to three equivalent S2- and three equivalent Br1- atoms to form distorted edge-sharing MoS3Br3 octahedra. All Mo–S bond lengths are 2.36 Å. All Mo–Br bond lengths are 2.79 Å. S2- is bonded in a 12-coordinate geometry to three equivalent Mo3+ atoms. Br1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo3+ atoms.
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