U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na5LiN2 by Materials Project
Abstract
Na5LiN2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.40 Å. In the second Na1+ site, Na1+ is bonded in a linear geometry to two equivalent N3- atoms. There are one shorter (2.48 Å) and one longer (2.53 Å) Na–N bond lengths. In the third Na1+ site, Na1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.35 Å. In the fourth Na1+ site, Na1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.37 Å. Li1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.95 Å. N3- is bonded to five Na1+ and one Li1+ atom to form distorted corner-sharing NNa5Li octahedra. The corner-sharing octahedra tilt angles range from 4–40°.
- Publication Date:
- Other Number(s):
- mp-1180222
- 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; Li-N-Na; Na5LiN2; crystal structure
- OSTI Identifier:
- 1700757
- DOI:
- https://doi.org/10.17188/1700757
Citation Formats
Materials Data on Na5LiN2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1700757.
Materials Data on Na5LiN2 by Materials Project. United States. doi:https://doi.org/10.17188/1700757
2019.
"Materials Data on Na5LiN2 by Materials Project". United States. doi:https://doi.org/10.17188/1700757. https://www.osti.gov/servlets/purl/1700757. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1700757,
title = {Materials Data on Na5LiN2 by Materials Project},
abstractNote = {Na5LiN2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.40 Å. In the second Na1+ site, Na1+ is bonded in a linear geometry to two equivalent N3- atoms. There are one shorter (2.48 Å) and one longer (2.53 Å) Na–N bond lengths. In the third Na1+ site, Na1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.35 Å. In the fourth Na1+ site, Na1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.37 Å. Li1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.95 Å. N3- is bonded to five Na1+ and one Li1+ atom to form distorted corner-sharing NNa5Li octahedra. The corner-sharing octahedra tilt angles range from 4–40°.},
doi = {10.17188/1700757},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}