Materials Data on Na5LiN2 by Materials Project
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 a spread of Na–N bond distances ranging from 2.57–2.63 Å. 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 2.56–2.62 Å. In the third Na1+ site, Na1+ is bonded in a linear geometry to two equivalent N3- atoms. There are one shorter (2.19 Å) and one longer (2.20 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 2.56–2.62 Å. In the fifth Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are two shorter (2.56 Å) and one longer (2.63 Å) Na–N bond lengths. Li1+ is bonded in a linear geometry to two equivalent N3- atoms. There are one shorter (2.19 Å) and one longer (2.20 Å) Li–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six Na1+ and two equivalent Li1+ atoms to form a mixture of distorted corner and edge-sharing NNa6Li2 hexagonal bipyramids. In the second N3- site, N3- is bonded to eight Na1+ atoms to form distorted NNa8 hexagonal bipyramids that share corners with two equivalent NNa8 hexagonal bipyramids and edges with six NNa6Li2 hexagonal bipyramids.
- 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:
- 1753512
- Report Number(s):
- mp-1079063
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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