U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3BN2 by Materials Project
Abstract
Li3BN2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted linear geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.99 Å. In the second Li1+ site, Li1+ is bonded to four equivalent N3- atoms to form a mixture of edge and corner-sharing LiN4 tetrahedra. There are two shorter (2.10 Å) and two longer (2.17 Å) Li–N bond lengths. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded in a 6-coordinate geometry to five Li1+ and one B3+ atom.
- Publication Date:
- Other Number(s):
- mp-5914
- 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-Li-N; Li3BN2; crystal structure
- OSTI Identifier:
- 1272738
- DOI:
- https://doi.org/10.17188/1272738
Citation Formats
Materials Data on Li3BN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272738.
Materials Data on Li3BN2 by Materials Project. United States. doi:https://doi.org/10.17188/1272738
2020.
"Materials Data on Li3BN2 by Materials Project". United States. doi:https://doi.org/10.17188/1272738. https://www.osti.gov/servlets/purl/1272738. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1272738,
title = {Materials Data on Li3BN2 by Materials Project},
abstractNote = {Li3BN2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted linear geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.99 Å. In the second Li1+ site, Li1+ is bonded to four equivalent N3- atoms to form a mixture of edge and corner-sharing LiN4 tetrahedra. There are two shorter (2.10 Å) and two longer (2.17 Å) Li–N bond lengths. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded in a 6-coordinate geometry to five Li1+ and one B3+ atom.},
doi = {10.17188/1272738},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.