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Title: Materials Data on B2CN by Materials Project

Abstract

B2CN is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to three equivalent C3- and one N3- atom to form corner-sharing BC3N tetrahedra. All B–C bond lengths are 1.66 Å. The B–N bond length is 1.52 Å. In the second B3+ site, B3+ is bonded to one C3- and three equivalent N3- atoms to form corner-sharing BCN3 tetrahedra. The B–C bond length is 1.61 Å. All B–N bond lengths are 1.59 Å. C3- is bonded to four B3+ atoms to form CB4 tetrahedra that share corners with six equivalent CB4 tetrahedra and corners with six equivalent NB4 tetrahedra. N3- is bonded to four B3+ atoms to form NB4 tetrahedra that share corners with six equivalent CB4 tetrahedra and corners with six equivalent NB4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1008526
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; B2CN; B-C-N
OSTI Identifier:
1325055
DOI:
https://doi.org/10.17188/1325055

Citation Formats

The Materials Project. Materials Data on B2CN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1325055.
The Materials Project. Materials Data on B2CN by Materials Project. United States. doi:https://doi.org/10.17188/1325055
The Materials Project. 2020. "Materials Data on B2CN by Materials Project". United States. doi:https://doi.org/10.17188/1325055. https://www.osti.gov/servlets/purl/1325055. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1325055,
title = {Materials Data on B2CN by Materials Project},
author = {The Materials Project},
abstractNote = {B2CN is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to three equivalent C3- and one N3- atom to form corner-sharing BC3N tetrahedra. All B–C bond lengths are 1.66 Å. The B–N bond length is 1.52 Å. In the second B3+ site, B3+ is bonded to one C3- and three equivalent N3- atoms to form corner-sharing BCN3 tetrahedra. The B–C bond length is 1.61 Å. All B–N bond lengths are 1.59 Å. C3- is bonded to four B3+ atoms to form CB4 tetrahedra that share corners with six equivalent CB4 tetrahedra and corners with six equivalent NB4 tetrahedra. N3- is bonded to four B3+ atoms to form NB4 tetrahedra that share corners with six equivalent CB4 tetrahedra and corners with six equivalent NB4 tetrahedra.},
doi = {10.17188/1325055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}