U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on B2(CN2)3 by Materials Project
Abstract
B2(CN2)3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two B2(CN2)3 sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three N3- atoms. All B–N bond lengths are 1.43 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.22 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.22 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom.
- Publication Date:
- Other Number(s):
- mp-989472
- 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; B2(CN2)3; crystal structure
- OSTI Identifier:
- 1316806
- DOI:
- https://doi.org/10.17188/1316806
Citation Formats
Materials Data on B2(CN2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316806.
Materials Data on B2(CN2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1316806
2020.
"Materials Data on B2(CN2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1316806. https://www.osti.gov/servlets/purl/1316806. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1316806,
title = {Materials Data on B2(CN2)3 by Materials Project},
abstractNote = {B2(CN2)3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two B2(CN2)3 sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three N3- atoms. All B–N bond lengths are 1.43 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.22 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.22 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom.},
doi = {10.17188/1316806},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}