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 three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.44–1.49 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.40–1.45 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted see-saw-like geometry to four N3- atoms. There are a spread of C–N bond distances ranging from 1.46–1.54 Å. In the second C4+ site, C4+ is bonded to four N3- atoms to form corner-sharing CN4 tetrahedra. There are a spread of C–N bond distances ranging from 1.45–1.61 Å. In the third C4+ site, C4+ is bonded to four N3- atoms to form corner-sharing CN4 tetrahedra. There are a spread of C–N bond distances ranging from 1.45–1.62 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one B3+ and two C4+ atoms. In the second N3- site,more »
- Publication Date:
- Other Number(s):
- mp-989466
- 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:
- 1316804
- DOI:
- https://doi.org/10.17188/1316804
Citation Formats
Materials Data on B2(CN2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316804.
Materials Data on B2(CN2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1316804
2020.
"Materials Data on B2(CN2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1316804. https://www.osti.gov/servlets/purl/1316804. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1316804,
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 three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.44–1.49 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.40–1.45 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted see-saw-like geometry to four N3- atoms. There are a spread of C–N bond distances ranging from 1.46–1.54 Å. In the second C4+ site, C4+ is bonded to four N3- atoms to form corner-sharing CN4 tetrahedra. There are a spread of C–N bond distances ranging from 1.45–1.61 Å. In the third C4+ site, C4+ is bonded to four N3- atoms to form corner-sharing CN4 tetrahedra. There are a spread of C–N bond distances ranging from 1.45–1.62 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one B3+ and two C4+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one B3+ and two C4+ atoms. In the third N3- site, N3- is bonded in a distorted trigonal planar geometry to one B3+ and two C4+ atoms. In the fourth N3- site, N3- is bonded in a distorted trigonal planar geometry to one B3+ and two equivalent C4+ atoms. In the fifth N3- site, N3- is bonded in a distorted trigonal planar geometry to one B3+ and two C4+ atoms. In the sixth N3- site, N3- is bonded in a distorted trigonal planar geometry to one B3+ and two equivalent C4+ atoms.},
doi = {10.17188/1316804},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}