Materials Data on Mo3I by Materials Project
Mo3I is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded to four equivalent Mo and four equivalent I atoms to form a mixture of distorted face, edge, and corner-sharing MoMo4I4 tetrahedra. All Mo–Mo bond lengths are 2.83 Å. All Mo–I bond lengths are 2.83 Å. In the second Mo site, Mo is bonded in a 8-coordinate geometry to eight equivalent Mo and six equivalent I atoms. All Mo–I bond lengths are 3.27 Å. I is bonded in a distorted body-centered cubic geometry to fourteen Mo atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1314913
- Report Number(s):
- mp-975905
- Country of Publication:
- United States
- Language:
- English
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