U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na5LiN2 by Materials Project
Abstract
Na5LiN2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are two shorter (2.59 Å) and one longer (2.60 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.56–2.61 Å. In the third Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are two shorter (2.57 Å) and one longer (2.63 Å) Na–N bond lengths. In the fourth Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.57–2.60 Å. In the fifth Na1+ site, Na1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.20 Å. Li1+ is bonded in a linear geometry to two equivalent N3- atoms. There are one shorter (2.19 Å) and one longer (2.21 Å) Li–N bond lengths. There are two inequivalent N3- sites. In themore »
- Publication Date:
- Other Number(s):
- mp-29930
- 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:
- 1204351
- DOI:
- https://doi.org/10.17188/1204351
Citation Formats
Materials Data on Na5LiN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204351.
Materials Data on Na5LiN2 by Materials Project. United States. doi:https://doi.org/10.17188/1204351
2020.
"Materials Data on Na5LiN2 by Materials Project". United States. doi:https://doi.org/10.17188/1204351. https://www.osti.gov/servlets/purl/1204351. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1204351,
title = {Materials Data on Na5LiN2 by Materials Project},
abstractNote = {Na5LiN2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are two shorter (2.59 Å) and one longer (2.60 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.56–2.61 Å. In the third Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are two shorter (2.57 Å) and one longer (2.63 Å) Na–N bond lengths. In the fourth Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.57–2.60 Å. In the fifth Na1+ site, Na1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.20 Å. Li1+ is bonded in a linear geometry to two equivalent N3- atoms. There are one shorter (2.19 Å) and one longer (2.21 Å) Li–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to eight Na1+ atoms to form a mixture of distorted corner and edge-sharing NNa8 hexagonal bipyramids. In the second N3- site, N3- is bonded to six Na1+ and two equivalent Li1+ atoms to form distorted NNa6Li2 hexagonal bipyramids that share corners with two equivalent NNa6Li2 hexagonal bipyramids and edges with six NNa8 hexagonal bipyramids.},
doi = {10.17188/1204351},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}