Materials Data on Li9S3N by Materials Project
Li9S3N crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one N3- and three equivalent S2- atoms. The Li–N bond length is 2.08 Å. All Li–S bond lengths are 2.51 Å. In the second Li1+ site, Li1+ is bonded to six equivalent S2- atoms to form corner-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–S bond lengths are 2.76 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms. S2- is bonded in a distorted q6 geometry to ten 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:
- 1270101
- Report Number(s):
- mp-557964
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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