U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on C3N4 by Materials Project
Abstract
C3N4 crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one C3N4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.34 Å) and one longer (1.48 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.33 Å) and one longer (1.40 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three equivalent C4+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two C4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to three equivalent C4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1104403
- 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; C3N4; C-N
- OSTI Identifier:
- 1731222
- DOI:
- https://doi.org/10.17188/1731222
Citation Formats
The Materials Project. Materials Data on C3N4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1731222.
The Materials Project. Materials Data on C3N4 by Materials Project. United States. doi:https://doi.org/10.17188/1731222
The Materials Project. 2020.
"Materials Data on C3N4 by Materials Project". United States. doi:https://doi.org/10.17188/1731222. https://www.osti.gov/servlets/purl/1731222. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1731222,
title = {Materials Data on C3N4 by Materials Project},
author = {The Materials Project},
abstractNote = {C3N4 crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one C3N4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.34 Å) and one longer (1.48 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.33 Å) and one longer (1.40 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three equivalent C4+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two C4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to three equivalent C4+ atoms.},
doi = {10.17188/1731222},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon May 04 00:00:00 EDT 2020},
month = {Mon May 04 00:00:00 EDT 2020}
}