Materials Data on LiCuS2 by Materials Project
Abstract
LiCuS2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form distorted edge-sharing LiS6 octahedra. There are two shorter (2.56 Å) and four longer (2.68 Å) Li–S bond lengths. Cu3+ is bonded in a 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.
- Publication Date:
- Other Number(s):
- mp-753722
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; LiCuS2; Cu-Li-S
- OSTI Identifier:
- 1282126
- DOI:
- 10.17188/1282126
Citation Formats
The Materials Project. Materials Data on LiCuS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282126.
The Materials Project. Materials Data on LiCuS2 by Materials Project. United States. doi:10.17188/1282126.
The Materials Project. 2020.
"Materials Data on LiCuS2 by Materials Project". United States. doi:10.17188/1282126. https://www.osti.gov/servlets/purl/1282126. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1282126,
title = {Materials Data on LiCuS2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCuS2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form distorted edge-sharing LiS6 octahedra. There are two shorter (2.56 Å) and four longer (2.68 Å) Li–S bond lengths. Cu3+ is bonded in a 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.},
doi = {10.17188/1282126},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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