U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on C3N by Materials Project
Abstract
C3N crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of eight methane molecules; two tetramethylammonium molecules; one C2N ribbon oriented in the (0, 0, 1) direction; and two CN ribbons oriented in the (0, 0, 1) direction. In the C2N ribbon, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.46 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a square co-planar geometry to four equivalent C1+ and two equivalent N3- atoms. Both N–N bond lengths are 2.46 Å. In the second N3- site, N3- is bonded in a linear geometry to two equivalent N3- atoms. In each CN ribbon, C1+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. N3- is bonded in a linear geometry to two equivalent C1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1096892
- 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; C3N; C-N
- OSTI Identifier:
- 1732262
- DOI:
- https://doi.org/10.17188/1732262
Citation Formats
The Materials Project. Materials Data on C3N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732262.
The Materials Project. Materials Data on C3N by Materials Project. United States. doi:https://doi.org/10.17188/1732262
The Materials Project. 2020.
"Materials Data on C3N by Materials Project". United States. doi:https://doi.org/10.17188/1732262. https://www.osti.gov/servlets/purl/1732262. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1732262,
title = {Materials Data on C3N by Materials Project},
author = {The Materials Project},
abstractNote = {C3N crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of eight methane molecules; two tetramethylammonium molecules; one C2N ribbon oriented in the (0, 0, 1) direction; and two CN ribbons oriented in the (0, 0, 1) direction. In the C2N ribbon, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.46 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a square co-planar geometry to four equivalent C1+ and two equivalent N3- atoms. Both N–N bond lengths are 2.46 Å. In the second N3- site, N3- is bonded in a linear geometry to two equivalent N3- atoms. In each CN ribbon, C1+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. N3- is bonded in a linear geometry to two equivalent C1+ atoms.},
doi = {10.17188/1732262},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}