U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na3BN2 by Materials Project
Abstract
Na3BN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four N3- atoms to form corner-sharing NaN4 tetrahedra. There are a spread of Na–N bond distances ranging from 2.42–2.48 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Na–N bond distances ranging from 2.50–2.80 Å. In the third Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Na–N bond distances ranging from 2.49–2.65 Å. B3+ is bonded in a linear geometry to two N3- atoms. Both B–N bond lengths are 1.36 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to six Na1+ and one B3+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to six Na1+ and one B3+ atom.
- Publication Date:
- Other Number(s):
- mp-28630
- 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-N-Na; Na3BN2; crystal structure
- OSTI Identifier:
- 1202719
- DOI:
- https://doi.org/10.17188/1202719
Citation Formats
Materials Data on Na3BN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202719.
Materials Data on Na3BN2 by Materials Project. United States. doi:https://doi.org/10.17188/1202719
2020.
"Materials Data on Na3BN2 by Materials Project". United States. doi:https://doi.org/10.17188/1202719. https://www.osti.gov/servlets/purl/1202719. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1202719,
title = {Materials Data on Na3BN2 by Materials Project},
abstractNote = {Na3BN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four N3- atoms to form corner-sharing NaN4 tetrahedra. There are a spread of Na–N bond distances ranging from 2.42–2.48 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Na–N bond distances ranging from 2.50–2.80 Å. In the third Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Na–N bond distances ranging from 2.49–2.65 Å. B3+ is bonded in a linear geometry to two N3- atoms. Both B–N bond lengths are 1.36 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to six Na1+ and one B3+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to six Na1+ and one B3+ atom.},
doi = {10.17188/1202719},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}