U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on C2S3N2 by Materials Project
Abstract
C2N2S3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. C4+ is bonded in a distorted linear geometry to one N1- and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.69 Å. N1- is bonded in a single-bond geometry to one C4+ and three S2- atoms. There are a spread of N–S bond distances ranging from 3.26–3.39 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent N1- and two equivalent S2- atoms. Both S–S bond lengths are 2.08 Å. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one C4+, two equivalent N1-, and one S2- atom.
- Publication Date:
- Other Number(s):
- mp-540807
- 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; C-N-S; C2S3N2; crystal structure
- OSTI Identifier:
- 1264809
- DOI:
- https://doi.org/10.17188/1264809
Citation Formats
Materials Data on C2S3N2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264809.
Materials Data on C2S3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1264809
2020.
"Materials Data on C2S3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1264809. https://www.osti.gov/servlets/purl/1264809. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1264809,
title = {Materials Data on C2S3N2 by Materials Project},
abstractNote = {C2N2S3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. C4+ is bonded in a distorted linear geometry to one N1- and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.69 Å. N1- is bonded in a single-bond geometry to one C4+ and three S2- atoms. There are a spread of N–S bond distances ranging from 3.26–3.39 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent N1- and two equivalent S2- atoms. Both S–S bond lengths are 2.08 Å. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one C4+, two equivalent N1-, and one S2- atom.},
doi = {10.17188/1264809},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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