Materials Data on Li2SiN2 by Materials Project
Li2SiN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are eight inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 1.99–2.39 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 1.98–2.15 Å. In the third Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Li–N bond distances ranging from 2.05–2.46 Å. In the fourth Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to three N3- atoms. There are a spread of Li–N bond distances ranging from 2.01–2.23 Å. In the fifth Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Li–N bond distances ranging from 2.15–2.34 Å. In the sixth Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Li–N bond distances ranging from 2.15–2.48 Å. In the seventh Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.11–2.30 Å. In the eighth Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.06–2.22 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.83 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.75–1.81 Å. In the third Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.77 Å. In the fourth Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.79 Å. There are eight inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms. In the second N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms. In the third N3- site, N3- is bonded in a 5-coordinate geometry to four Li1+ and two Si4+ atoms. In the fourth N3- site, N3- is bonded in a 7-coordinate geometry to five Li1+ and two Si4+ atoms. In the fifth N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms. In the sixth N3- site, N3- is bonded in a 7-coordinate geometry to five Li1+ and two Si4+ atoms. In the seventh N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms. In the eighth N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ 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:
- 1283858
- Report Number(s):
- mp-684024
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Li14Ce5Si11N19O7F2 by Materials Project
Materials Data on LiAl3Si9(N7O)2 by Materials Project