U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1008526
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-C-N; B2CN; crystal structure
- OSTI Identifier:
- 1325055
- DOI:
- https://doi.org/10.17188/1325055
Citation Formats
Materials Data on B2CN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1325055.
Materials Data on B2CN by Materials Project. United States. doi:https://doi.org/10.17188/1325055
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},
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}
}