U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CdH2C4(S3N2)2 by Materials Project
Abstract
CdC4H2(N2S3)2 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two CdC4H2(N2S3)2 sheets oriented in the (0, 1, 0) direction. Cd2+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.58 Å) and two longer (2.60 Å) Cd–S bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted single-bond geometry to one N2- and two S2- atoms. The C–N bond length is 1.32 Å. There is one shorter (1.72 Å) and one longer (1.76 Å) C–S bond length. In the second C4+ site, C4+ is bonded in a distorted single-bond geometry to one N2- and two S2- atoms. The C–N bond length is 1.34 Å. There is one shorter (1.69 Å) and one longer (1.74 Å) C–S bond length. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted single-bond geometry to one C4+ atom. In the second N2- site, N2- is bonded in a distorted bent 120 degrees geometry to one C4+ and one H1+ atom. The N–H bond length is 1.03 Å. H1+ is bonded in a single-bond geometry to one N2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199936
- 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; CdH2C4(S3N2)2; C-Cd-H-N-S
- OSTI Identifier:
- 1705988
- DOI:
- https://doi.org/10.17188/1705988
Citation Formats
The Materials Project. Materials Data on CdH2C4(S3N2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705988.
The Materials Project. Materials Data on CdH2C4(S3N2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1705988
The Materials Project. 2020.
"Materials Data on CdH2C4(S3N2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1705988. https://www.osti.gov/servlets/purl/1705988. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1705988,
title = {Materials Data on CdH2C4(S3N2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CdC4H2(N2S3)2 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two CdC4H2(N2S3)2 sheets oriented in the (0, 1, 0) direction. Cd2+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.58 Å) and two longer (2.60 Å) Cd–S bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted single-bond geometry to one N2- and two S2- atoms. The C–N bond length is 1.32 Å. There is one shorter (1.72 Å) and one longer (1.76 Å) C–S bond length. In the second C4+ site, C4+ is bonded in a distorted single-bond geometry to one N2- and two S2- atoms. The C–N bond length is 1.34 Å. There is one shorter (1.69 Å) and one longer (1.74 Å) C–S bond length. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted single-bond geometry to one C4+ atom. In the second N2- site, N2- is bonded in a distorted bent 120 degrees geometry to one C4+ and one H1+ atom. The N–H bond length is 1.03 Å. H1+ is bonded in a single-bond geometry to one N2- atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two C4+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one Cd2+ and one C4+ atom. In the third S2- site, S2- is bonded in a water-like geometry to one Cd2+ and one C4+ atom.},
doi = {10.17188/1705988},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}