U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on S4N5Cl by Materials Project
Abstract
N5S4Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight N5S4Cl clusters. there are five inequivalent N+1.80+ sites. In the first N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.65 Å) N–S bond length. In the second N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.72 Å) N–S bond length. In the third N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.72 Å) N–S bond length. In the fourth N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.64 Å. In the fifth N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.65 Å) N–S bond length. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.80+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-556273
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; S4N5Cl; Cl-N-S
- OSTI Identifier:
- 1269264
- DOI:
- https://doi.org/10.17188/1269264
Citation Formats
The Materials Project. Materials Data on S4N5Cl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269264.
The Materials Project. Materials Data on S4N5Cl by Materials Project. United States. doi:https://doi.org/10.17188/1269264
The Materials Project. 2020.
"Materials Data on S4N5Cl by Materials Project". United States. doi:https://doi.org/10.17188/1269264. https://www.osti.gov/servlets/purl/1269264. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1269264,
title = {Materials Data on S4N5Cl by Materials Project},
author = {The Materials Project},
abstractNote = {N5S4Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight N5S4Cl clusters. there are five inequivalent N+1.80+ sites. In the first N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.65 Å) N–S bond length. In the second N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.72 Å) N–S bond length. In the third N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.72 Å) N–S bond length. In the fourth N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.64 Å. In the fifth N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.65 Å) N–S bond length. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.80+ atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two N+1.80+ and one Cl1- atom. The S–Cl bond length is 2.28 Å. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N+1.80+ atoms. In the fourth S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N+1.80+ atoms. Cl1- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1269264},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}