Materials Data on H4CSIN2 by Materials Project
(CNH)2H2N2H4S2II crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hydriodic acid molecules, four hydrogen molecules, eight methanimine molecules, and four N2H4S2I clusters. In each N2H4S2I cluster, N+2.50- is bonded in a distorted single-bond geometry to one H1+, one S2-, and one I1- atom. The N–H bond length is 1.04 Å. The N–S bond length is 1.65 Å. The N–I bond length is 2.26 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.37 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+2.50- atom. S2- is bonded in a water-like geometry to one N+2.50- and one H1+ atom. I1- is bonded in a bent 150 degrees geometry to two equivalent N+2.50- 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:
- 1684340
- Report Number(s):
- mp-1181731
- Country of Publication:
- United States
- Language:
- English
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