U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiCS(OF)3 by Materials Project
Abstract
LiCF3SO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four fluoroform molecules and one SO3Li sheet oriented in the (0, 0, 1) direction. In the SO3Li sheet, Li1+ is bonded to four O2- atoms to form edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.02 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.45 Å) and one longer (1.48 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one S4+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Li1+ and one S4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one S4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-636952
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; LiCS(OF)3; C-F-Li-O-S
- OSTI Identifier:
- 1279614
- DOI:
- https://doi.org/10.17188/1279614
Citation Formats
The Materials Project. Materials Data on LiCS(OF)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279614.
The Materials Project. Materials Data on LiCS(OF)3 by Materials Project. United States. doi:https://doi.org/10.17188/1279614
The Materials Project. 2020.
"Materials Data on LiCS(OF)3 by Materials Project". United States. doi:https://doi.org/10.17188/1279614. https://www.osti.gov/servlets/purl/1279614. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1279614,
title = {Materials Data on LiCS(OF)3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCF3SO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four fluoroform molecules and one SO3Li sheet oriented in the (0, 0, 1) direction. In the SO3Li sheet, Li1+ is bonded to four O2- atoms to form edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.02 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.45 Å) and one longer (1.48 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one S4+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Li1+ and one S4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one S4+ atom.},
doi = {10.17188/1279614},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon May 04 00:00:00 EDT 2020},
month = {Mon May 04 00:00:00 EDT 2020}
}