U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on S2N2Cl by Materials Project
Abstract
N2S2Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N2S2Cl clusters. there are four inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. There is one shorter (1.60 Å) and one longer (1.63 Å) N–S bond length. In the second N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. There is one shorter (1.59 Å) and one longer (1.62 Å) N–S bond length. In the third N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. Both N–S bond lengths are 1.61 Å. In the fourth N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. Both N–S bond lengths are 1.61 Å. There are four inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to two N+1.50- and one Cl1- atom. The S–Cl bond length is 2.19 Å. In the second S2+ site, S2+ is bonded in a water-like geometry to two N+1.50- atoms. In the third S2+ site, S2+ is bonded in a water-like geometry tomore »
- Publication Date:
- Other Number(s):
- mp-29067
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-N-S; crystal structure; S2N2Cl
- OSTI Identifier:
- 1203137
- DOI:
- https://doi.org/10.17188/1203137
Citation Formats
Materials Data on S2N2Cl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203137.
Materials Data on S2N2Cl by Materials Project. United States. doi:https://doi.org/10.17188/1203137
2020.
"Materials Data on S2N2Cl by Materials Project". United States. doi:https://doi.org/10.17188/1203137. https://www.osti.gov/servlets/purl/1203137. Pub date:Wed Apr 29 20:00:00 EDT 2020
@article{osti_1203137,
title = {Materials Data on S2N2Cl by Materials Project},
abstractNote = {N2S2Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N2S2Cl clusters. there are four inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. There is one shorter (1.60 Å) and one longer (1.63 Å) N–S bond length. In the second N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. There is one shorter (1.59 Å) and one longer (1.62 Å) N–S bond length. In the third N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. Both N–S bond lengths are 1.61 Å. In the fourth N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. Both N–S bond lengths are 1.61 Å. There are four inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to two N+1.50- and one Cl1- atom. The S–Cl bond length is 2.19 Å. In the second S2+ site, S2+ is bonded in a water-like geometry to two N+1.50- atoms. In the third S2+ site, S2+ is bonded in a water-like geometry to two N+1.50- atoms. In the fourth S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to two N+1.50- and one Cl1- atom. The S–Cl bond length is 2.27 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom.},
doi = {10.17188/1203137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}