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Title: Materials Data on B2(CN2)3 by Materials Project

Abstract

B2(CN2)3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two B2(CN2)3 sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three N3- atoms. All B–N bond lengths are 1.43 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.22 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.22 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom.

Publication Date:
Other Number(s):
mp-989472
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; B2(CN2)3; B-C-N
OSTI Identifier:
1316806
DOI:
https://doi.org/10.17188/1316806

Citation Formats

The Materials Project. Materials Data on B2(CN2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316806.
The Materials Project. Materials Data on B2(CN2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1316806
The Materials Project. 2020. "Materials Data on B2(CN2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1316806. https://www.osti.gov/servlets/purl/1316806. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1316806,
title = {Materials Data on B2(CN2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {B2(CN2)3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two B2(CN2)3 sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three N3- atoms. All B–N bond lengths are 1.43 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.22 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.22 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom.},
doi = {10.17188/1316806},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}