Materials Data on CS3N by Materials Project
Abstract
CNS3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight 60583-09-7 molecules. there are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a distorted linear geometry to one N3+ and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.68 Å. In the second C3+ site, C3+ is bonded in a distorted linear geometry to one N3+ and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.68 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a single-bond geometry to one C3+ atom. In the second N3+ site, N3+ is bonded in a single-bond geometry to one C3+ atom. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.04 Å) and one longer (2.10 Å) S–S bond lengths. In the second S2- site, S2- is bonded in a distorted water-like geometry to one C3+ and one S2- atom. In the third S2- site, S2- is bonded in a water-like geometry to twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-29700
- 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; CS3N; C-N-S
- OSTI Identifier:
- 1204177
- DOI:
- https://doi.org/10.17188/1204177
Citation Formats
The Materials Project. Materials Data on CS3N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204177.
The Materials Project. Materials Data on CS3N by Materials Project. United States. doi:https://doi.org/10.17188/1204177
The Materials Project. 2020.
"Materials Data on CS3N by Materials Project". United States. doi:https://doi.org/10.17188/1204177. https://www.osti.gov/servlets/purl/1204177. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1204177,
title = {Materials Data on CS3N by Materials Project},
author = {The Materials Project},
abstractNote = {CNS3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight 60583-09-7 molecules. there are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a distorted linear geometry to one N3+ and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.68 Å. In the second C3+ site, C3+ is bonded in a distorted linear geometry to one N3+ and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.68 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a single-bond geometry to one C3+ atom. In the second N3+ site, N3+ is bonded in a single-bond geometry to one C3+ atom. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.04 Å) and one longer (2.10 Å) S–S bond lengths. In the second S2- site, S2- is bonded in a distorted water-like geometry to one C3+ and one S2- atom. In the third S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.09 Å. In the fourth S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.04 Å. In the fifth S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.10 Å. In the sixth S2- site, S2- is bonded in a distorted water-like geometry to one C3+ and one S2- atom.},
doi = {10.17188/1204177},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}