U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs3Li2Cl5 by Materials Project
Abstract
Cs3Li2Cl5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.54–3.73 Å. In the second Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.58–3.71 Å. Li1+ is bonded to four Cl1- atoms to form corner-sharing LiCl4 tetrahedra. There are a spread of Li–Cl bond distances ranging from 2.36–2.44 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ and three equivalent Li1+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to six Cs1+ and one Li1+ atom. In the third Cl1- site, Cl1- is bonded in a body-centered cubic geometry to eight Cs1+ atoms.
- Publication Date:
- Other Number(s):
- mp-570756
- 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; Cl-Cs-Li; Cs3Li2Cl5; crystal structure
- OSTI Identifier:
- 1275890
- DOI:
- https://doi.org/10.17188/1275890
Citation Formats
Materials Data on Cs3Li2Cl5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275890.
Materials Data on Cs3Li2Cl5 by Materials Project. United States. doi:https://doi.org/10.17188/1275890
2020.
"Materials Data on Cs3Li2Cl5 by Materials Project". United States. doi:https://doi.org/10.17188/1275890. https://www.osti.gov/servlets/purl/1275890. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1275890,
title = {Materials Data on Cs3Li2Cl5 by Materials Project},
abstractNote = {Cs3Li2Cl5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.54–3.73 Å. In the second Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.58–3.71 Å. Li1+ is bonded to four Cl1- atoms to form corner-sharing LiCl4 tetrahedra. There are a spread of Li–Cl bond distances ranging from 2.36–2.44 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ and three equivalent Li1+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to six Cs1+ and one Li1+ atom. In the third Cl1- site, Cl1- is bonded in a body-centered cubic geometry to eight Cs1+ atoms.},
doi = {10.17188/1275890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}