Materials Data on HS9N by Materials Project
NHS9 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four nonathiazecane molecules. N1+ is bonded in a distorted trigonal planar geometry to one H1+ and two equivalent S+0.22- atoms. The N–H bond length is 1.02 Å. Both N–S bond lengths are 1.68 Å. H1+ is bonded in a single-bond geometry to one N1+ atom. There are five inequivalent S+0.22- sites. In the first S+0.22- site, S+0.22- is bonded in a distorted single-bond geometry to one N1+ and one S+0.22- atom. The S–S bond length is 2.06 Å. In the second S+0.22- site, S+0.22- is bonded in a water-like geometry to two equivalent S+0.22- atoms. Both S–S bond lengths are 2.08 Å. In the third S+0.22- site, S+0.22- is bonded in a bent 120 degrees geometry to two S+0.22- atoms. The S–S bond length is 2.05 Å. In the fourth S+0.22- site, S+0.22- is bonded in a water-like geometry to two S+0.22- atoms. The S–S bond length is 2.09 Å. In the fifth S+0.22- site, S+0.22- is bonded in a water-like geometry to two S+0.22- 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:
- 1262542
- Report Number(s):
- mp-505451
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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