SEARCH · Search NASA

Results for “Li-N-S”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

2 records

All sources NASA NTRS DOE OSTI

DOE OSTI2020

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.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Li6SN4 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗