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Title: Materials Data on BC2N by Materials Project

Abstract

BC2N crystallizes in the monoclinic C2 space group. The structure is three-dimensional. B3+ is bonded in a 3-coordinate geometry to two C and one N3- atom. There is one shorter (1.59 Å) and one longer (1.82 Å) B–C bond length. The B–N bond length is 1.46 Å. There are two inequivalent C sites. In the first C site, C is bonded in a 2-coordinate geometry to one B3+, one C, and one N3- atom. The C–C bond length is 1.57 Å. The C–N bond length is 1.43 Å. In the second C site, C is bonded in a distorted single-bond geometry to one B3+, two C, and one N3- atom. The C–C bond length is 1.60 Å. The C–N bond length is 1.43 Å. N3- is bonded in a trigonal planar geometry to one B3+ and two C atoms.

Publication Date:
Other Number(s):
mp-1080483
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; BC2N; B-C-N
OSTI Identifier:
1656159
DOI:
https://doi.org/10.17188/1656159

Citation Formats

The Materials Project. Materials Data on BC2N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656159.
The Materials Project. Materials Data on BC2N by Materials Project. United States. doi:https://doi.org/10.17188/1656159
The Materials Project. 2020. "Materials Data on BC2N by Materials Project". United States. doi:https://doi.org/10.17188/1656159. https://www.osti.gov/servlets/purl/1656159. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1656159,
title = {Materials Data on BC2N by Materials Project},
author = {The Materials Project},
abstractNote = {BC2N crystallizes in the monoclinic C2 space group. The structure is three-dimensional. B3+ is bonded in a 3-coordinate geometry to two C and one N3- atom. There is one shorter (1.59 Å) and one longer (1.82 Å) B–C bond length. The B–N bond length is 1.46 Å. There are two inequivalent C sites. In the first C site, C is bonded in a 2-coordinate geometry to one B3+, one C, and one N3- atom. The C–C bond length is 1.57 Å. The C–N bond length is 1.43 Å. In the second C site, C is bonded in a distorted single-bond geometry to one B3+, two C, and one N3- atom. The C–C bond length is 1.60 Å. The C–N bond length is 1.43 Å. N3- is bonded in a trigonal planar geometry to one B3+ and two C atoms.},
doi = {10.17188/1656159},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}