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Title: Materials Data on C11N4 by Materials Project

Abstract

C11N4 crystallizes in the tetragonal P-42m space group. The structure is two-dimensional and consists of six methane molecules and one C5N4 sheet oriented in the (0, 0, 1) direction. In the C5N4 sheet, there are two inequivalent C+1.09+ sites. In the first C+1.09+ site, C+1.09+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.50 Å. In the second C+1.09+ site, C+1.09+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All C–N bond lengths are 1.47 Å. N3- is bonded in a trigonal non-coplanar geometry to three C+1.09+ atoms.

Publication Date:
Other Number(s):
mp-1104073
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; C11N4; C-N
OSTI Identifier:
1651809
DOI:
https://doi.org/10.17188/1651809

Citation Formats

The Materials Project. Materials Data on C11N4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651809.
The Materials Project. Materials Data on C11N4 by Materials Project. United States. doi:https://doi.org/10.17188/1651809
The Materials Project. 2020. "Materials Data on C11N4 by Materials Project". United States. doi:https://doi.org/10.17188/1651809. https://www.osti.gov/servlets/purl/1651809. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1651809,
title = {Materials Data on C11N4 by Materials Project},
author = {The Materials Project},
abstractNote = {C11N4 crystallizes in the tetragonal P-42m space group. The structure is two-dimensional and consists of six methane molecules and one C5N4 sheet oriented in the (0, 0, 1) direction. In the C5N4 sheet, there are two inequivalent C+1.09+ sites. In the first C+1.09+ site, C+1.09+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.50 Å. In the second C+1.09+ site, C+1.09+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All C–N bond lengths are 1.47 Å. N3- is bonded in a trigonal non-coplanar geometry to three C+1.09+ atoms.},
doi = {10.17188/1651809},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}