U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiCuS2 by Materials Project
Abstract
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.
- Publication Date:
- Other Number(s):
- mp-766486
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cu-Li-S; LiCuS2; crystal structure
- OSTI Identifier:
- 1296892
- DOI:
- https://doi.org/10.17188/1296892
Citation Formats
Materials Data on LiCuS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1296892.
Materials Data on LiCuS2 by Materials Project. United States. doi:https://doi.org/10.17188/1296892
2020.
"Materials Data on LiCuS2 by Materials Project". United States. doi:https://doi.org/10.17188/1296892. https://www.osti.gov/servlets/purl/1296892. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1296892,
title = {Materials Data on LiCuS2 by Materials Project},
abstractNote = {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.},
doi = {10.17188/1296892},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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