Materials Data on H3CI by Materials Project
CH3I is Ammonia-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four iodomethane molecules. C2- is bonded in a trigonal non-coplanar geometry to three H1+ and one I1- atom. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–I bond length is 2.16 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, 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:
- 1676011
- Report Number(s):
- mp-1181198
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on H3CI by Materials Project
Materials Data on InH12C4Se2I3 by Materials Project
Materials Data on FeAs2H18(C2I)3 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1687157
Materials Data on InH12C4Se2I3 by Materials Project
Dataset
·
Thu May 28 00:00:00 EDT 2020
·
OSTI ID:1664150
Materials Data on FeAs2H18(C2I)3 by Materials Project
Dataset
·
Fri Jan 11 23:00:00 EST 2019
·
OSTI ID:1723815