Materials Data on LiCuS by Materials Project
LiCuS crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Li1+ is bonded in a distorted see-saw-like geometry to four equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.43–2.60 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.14 Å. S2- is bonded to four equivalent Li1+ and two equivalent Cu1+ atoms to form a mixture of corner and edge-sharing SLi4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 3–22°.
- 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:
- 1289005
- Report Number(s):
- mp-753371
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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