Materials Data on CS3N5Cl by Materials Project
Abstract
CN5S3Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four CN5S3Cl clusters. C4+ is bonded in a distorted trigonal planar geometry to two N+0.60+ and one Cl1- atom. There is one shorter (1.32 Å) and one longer (1.33 Å) C–N bond length. The C–Cl bond length is 1.75 Å. There are five inequivalent N+0.60+ sites. In the first N+0.60+ site, N+0.60+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.75 Å) N–S bond length. In the second N+0.60+ site, N+0.60+ is bonded in a distorted bent 120 degrees geometry to one C4+ and one S2- atom. The N–S bond length is 1.64 Å. In the third N+0.60+ site, N+0.60+ is bonded in a distorted bent 120 degrees geometry to one C4+ and one S2- atom. The N–S bond length is 1.64 Å. In the fourth N+0.60+ site, N+0.60+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.75 Å) N–S bond length. In the fifth N+0.60+ site, N+0.60+ is bonded in a bent 120 degrees geometry to two S2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-558295
- 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; CS3N5Cl; C-Cl-N-S
- OSTI Identifier:
- 1270265
- DOI:
- https://doi.org/10.17188/1270265
Citation Formats
The Materials Project. Materials Data on CS3N5Cl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270265.
The Materials Project. Materials Data on CS3N5Cl by Materials Project. United States. doi:https://doi.org/10.17188/1270265
The Materials Project. 2020.
"Materials Data on CS3N5Cl by Materials Project". United States. doi:https://doi.org/10.17188/1270265. https://www.osti.gov/servlets/purl/1270265. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1270265,
title = {Materials Data on CS3N5Cl by Materials Project},
author = {The Materials Project},
abstractNote = {CN5S3Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four CN5S3Cl clusters. C4+ is bonded in a distorted trigonal planar geometry to two N+0.60+ and one Cl1- atom. There is one shorter (1.32 Å) and one longer (1.33 Å) C–N bond length. The C–Cl bond length is 1.75 Å. There are five inequivalent N+0.60+ sites. In the first N+0.60+ site, N+0.60+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.75 Å) N–S bond length. In the second N+0.60+ site, N+0.60+ is bonded in a distorted bent 120 degrees geometry to one C4+ and one S2- atom. The N–S bond length is 1.64 Å. In the third N+0.60+ site, N+0.60+ is bonded in a distorted bent 120 degrees geometry to one C4+ and one S2- atom. The N–S bond length is 1.64 Å. In the fourth N+0.60+ site, N+0.60+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.75 Å) N–S bond length. In the fifth N+0.60+ site, N+0.60+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.64 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N+0.60+ atoms. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two N+0.60+ atoms. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N+0.60+ atoms. Cl1- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1270265},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}