Materials Data on LiCuS2 by Materials Project
LiCuS2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two shorter (2.60 Å) and four longer (2.71 Å) Li–S bond lengths. Cu3+ is bonded in a distorted square co-planar geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.24 Å. S2- is bonded in a 5-coordinate geometry to three equivalent Li1+ and two equivalent Cu3+ 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:
- 1296892
- Report Number(s):
- mp-766486
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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