DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BC2N by Materials Project

Abstract

BC2N is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. B3+ is bonded to four equivalent C atoms to form BC4 tetrahedra that share corners with four equivalent BC4 tetrahedra and corners with eight equivalent NC4 tetrahedra. All B–C bond lengths are 1.58 Å. C is bonded to two equivalent B3+ and two equivalent N3- atoms to form corner-sharing CB2N2 tetrahedra. Both C–N bond lengths are 1.57 Å. N3- is bonded to four equivalent C atoms to form NC4 tetrahedra that share corners with four equivalent NC4 tetrahedra and corners with eight equivalent BC4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1008523
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; BC2N; B-C-N
OSTI Identifier:
1325052
DOI:
https://doi.org/10.17188/1325052

Citation Formats

The Materials Project. Materials Data on BC2N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1325052.
The Materials Project. Materials Data on BC2N by Materials Project. United States. doi:https://doi.org/10.17188/1325052
The Materials Project. 2020. "Materials Data on BC2N by Materials Project". United States. doi:https://doi.org/10.17188/1325052. https://www.osti.gov/servlets/purl/1325052. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1325052,
title = {Materials Data on BC2N by Materials Project},
author = {The Materials Project},
abstractNote = {BC2N is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. B3+ is bonded to four equivalent C atoms to form BC4 tetrahedra that share corners with four equivalent BC4 tetrahedra and corners with eight equivalent NC4 tetrahedra. All B–C bond lengths are 1.58 Å. C is bonded to two equivalent B3+ and two equivalent N3- atoms to form corner-sharing CB2N2 tetrahedra. Both C–N bond lengths are 1.57 Å. N3- is bonded to four equivalent C atoms to form NC4 tetrahedra that share corners with four equivalent NC4 tetrahedra and corners with eight equivalent BC4 tetrahedra.},
doi = {10.17188/1325052},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}