Materials Data on Mo3S3Br by Materials Project
Mo3S3Br crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.33+ is bonded to four equivalent S2- and one Br1- atom to form a mixture of edge and corner-sharing MoS4Br square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.51 Å. The Mo–Br bond length is 2.65 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Mo+2.33+ atoms. Br1- is bonded in a 6-coordinate geometry to three equivalent Mo+2.33+ atoms.
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