Materials Data on LiSnS2 by Materials Project
Sn(Li)S2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form LiS6 octahedra that share corners with twelve equivalent SnS6 octahedra, edges with six equivalent LiS6 octahedra, and faces with two equivalent SnS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Li–S bond lengths are 2.70 Å. Sn3+ is bonded to six equivalent S2- atoms to form SnS6 octahedra that share corners with twelve equivalent LiS6 octahedra, edges with six equivalent SnS6 octahedra, and faces with two equivalent LiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Sn–S bond lengths are 2.74 Å. S2- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Sn3+ 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:
- 1201883
- Report Number(s):
- mp-27683
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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