Materials Data on Li3AuS2 by Materials Project
Li3AuS2 crystallizes in the orthorhombic Ibam 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 two equivalent Au1+ and four equivalent S2- atoms. Both Li–Au bond lengths are 3.02 Å. There are two shorter (2.49 Å) and two longer (2.53 Å) Li–S bond lengths. In the second Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form distorted edge-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.55 Å. Au1+ is bonded in a 6-coordinate geometry to four equivalent Li1+ and two equivalent S2- atoms. Both Au–S bond lengths are 2.35 Å. S2- is bonded in a 7-coordinate geometry to six Li1+ and one Au1+ atom.
- 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:
- 1191504
- Report Number(s):
- mp-15999
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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