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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1203612
- Report Number(s):
- mp-29231
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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