Materials Data on Na3Li3N2 by Materials Project
NaLi(NaLiN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one NaLi sheet oriented in the (0, 0, 1) direction and one NaLiN sheet oriented in the (0, 0, 1) direction. In the NaLi sheet, Na1+ is bonded in a square co-planar geometry to four equivalent Li1+ atoms. All Na–Li bond lengths are 2.69 Å. Li1+ is bonded in a square co-planar geometry to four equivalent Na1+ atoms. In the NaLiN sheet, Na1+ is bonded in a distorted water-like geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.46 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.10 Å. In the second Li1+ site, Li1+ is bonded to four equivalent N3- atoms to form distorted corner-sharing LiN4 tetrahedra. All Li–N bond lengths are 2.10 Å. N3- is bonded in a 6-coordinate geometry to two equivalent Na1+ and four Li1+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1278918
- Report Number(s):
- mp-628616
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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