U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Cu4S3 by Materials Project
Abstract
Li2Cu4S3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.44–2.94 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.26–2.37 Å. In the second Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.31 Å) and one longer (2.35 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and four Cu1+ atoms to form distorted edge-sharing SLi2Cu4 pentagonal pyramids. In the second S2- site, S2- is bonded in a 8-coordinate geometry to four equivalent Li1+ and four Cu1+ atoms.
- Publication Date:
- Other Number(s):
- mp-753623
- 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; Li2Cu4S3; crystal structure
- OSTI Identifier:
- 1289076
- DOI:
- https://doi.org/10.17188/1289076
Citation Formats
Materials Data on Li2Cu4S3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289076.
Materials Data on Li2Cu4S3 by Materials Project. United States. doi:https://doi.org/10.17188/1289076
2020.
"Materials Data on Li2Cu4S3 by Materials Project". United States. doi:https://doi.org/10.17188/1289076. https://www.osti.gov/servlets/purl/1289076. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1289076,
title = {Materials Data on Li2Cu4S3 by Materials Project},
abstractNote = {Li2Cu4S3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.44–2.94 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.26–2.37 Å. In the second Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.31 Å) and one longer (2.35 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and four Cu1+ atoms to form distorted edge-sharing SLi2Cu4 pentagonal pyramids. In the second S2- site, S2- is bonded in a 8-coordinate geometry to four equivalent Li1+ and four Cu1+ atoms.},
doi = {10.17188/1289076},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}