U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on S3N3ClO2 by Materials Project
Abstract
N3S3O2Cl crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight N3S3O2Cl clusters. there are three inequivalent N+3.67+ sites. In the first N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.67 Å) N–S bond length. In the second N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.64 Å) N–S bond length. In the third N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.67 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+3.67+ atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two N+3.67+ and one Cl1- atom. The S–Cl bond length is 2.15 Å. In the third S2- site, S2- is bonded in a tetrahedral geometry to two N+3.67+ and two O2- atoms. Both S–O bond lengths are 1.44 Å. There aremore »
- Publication Date:
- Other Number(s):
- mp-558667
- 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-O-S; crystal structure; S3N3ClO2
- OSTI Identifier:
- 1270443
- DOI:
- https://doi.org/10.17188/1270443
Citation Formats
Materials Data on S3N3ClO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270443.
Materials Data on S3N3ClO2 by Materials Project. United States. doi:https://doi.org/10.17188/1270443
2020.
"Materials Data on S3N3ClO2 by Materials Project". United States. doi:https://doi.org/10.17188/1270443. https://www.osti.gov/servlets/purl/1270443. Pub date:Tue Apr 28 20:00:00 EDT 2020
@article{osti_1270443,
title = {Materials Data on S3N3ClO2 by Materials Project},
abstractNote = {N3S3O2Cl crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight N3S3O2Cl clusters. there are three inequivalent N+3.67+ sites. In the first N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.67 Å) N–S bond length. In the second N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.64 Å) N–S bond length. In the third N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.67 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+3.67+ atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two N+3.67+ and one Cl1- atom. The S–Cl bond length is 2.15 Å. In the third S2- site, S2- is bonded in a tetrahedral geometry to two N+3.67+ and two O2- atoms. Both S–O bond lengths are 1.44 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. Cl1- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1270443},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}