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

Abstract

B2(CN2)3 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two B2(CN2)3 ribbons oriented in the (0, 1, 0) direction. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is one shorter (1.39 Å) and two longer (1.52 Å) B–N bond length. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.35 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.20 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to two equivalent B3+ and one C4+ atom. In the second N3- site, N3- is bonded in a linear geometry to one B3+ and one C4+ atom. In the third N3- site, N3- is bonded in a single-bond geometry to one C4+ atom.

Publication Date:
Other Number(s):
mp-989459
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:
1316801
DOI:
https://doi.org/10.17188/1316801

Citation Formats

The Materials Project. Materials Data on B2(CN2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316801.
The Materials Project. Materials Data on B2(CN2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1316801
The Materials Project. 2020. "Materials Data on B2(CN2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1316801. https://www.osti.gov/servlets/purl/1316801. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1316801,
title = {Materials Data on B2(CN2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {B2(CN2)3 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two B2(CN2)3 ribbons oriented in the (0, 1, 0) direction. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is one shorter (1.39 Å) and two longer (1.52 Å) B–N bond length. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.35 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.20 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to two equivalent B3+ and one C4+ atom. In the second N3- site, N3- is bonded in a linear geometry to one B3+ and one C4+ atom. In the third N3- site, N3- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1316801},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}