Materials Data on H3CI by Materials Project
CH3I is Ammonia-derived structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three iodomethane molecules. C2- is bonded in a trigonal non-coplanar geometry to three equivalent H1+ and one I1- atom. All C–H bond lengths are 1.09 Å. The C–I bond length is 2.15 Å. H1+ is bonded in a single-bond geometry to one C2- atom. I1- is bonded in a single-bond geometry to one C2- atom.
- 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:
- 1687157
- Report Number(s):
- mp-1096983
- Country of Publication:
- United States
- Language:
- English
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