Materials Data on Na3Li3N2 by Materials Project
Na3Li3N2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted trigonal non-coplanar geometry to three N3- atoms. There are one shorter (2.56 Å) and two longer (2.61 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are two shorter (2.53 Å) and one longer (2.67 Å) Na–N bond lengths. In the third Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are one shorter (2.40 Å) and two longer (2.44 Å) Na–N bond lengths. There are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a linear geometry to two equivalent N3- atoms. There is one shorter (1.92 Å) and one longer (1.94 Å) Li–N bond length. In the second Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are one shorter (2.21 Å) and two longer (2.49 Å) Li–N bond lengths. In the third Li1+ site, Li1+ is bonded in a linear geometry to two equivalent N3- atoms. There is one shorter (1.92 Å) and one longer (1.95 Å) Li–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 8-coordinate geometry to five Na1+ and three Li1+ atoms. In the second N3- site, N3- is bonded to four Na1+ and four Li1+ atoms to form a mixture of distorted edge and corner-sharing NNa4Li4 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:
- 1204349
- Report Number(s):
- mp-29928
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Na5LiN2 by Materials Project
Materials Data on Na5LiN2 by Materials Project