U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs(WCl3)3 by Materials Project
Abstract
Cs(WCl3)3 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. There are three shorter (3.65 Å) and three longer (3.68 Å) Cs–Cl bond lengths. W+2.67+ is bonded to five Cl1- atoms to form corner-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.41–2.49 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and one W+2.67+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+2.67+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+2.67+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-568039
- 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; Cs(WCl3)3; Cl-Cs-W
- OSTI Identifier:
- 1274215
- DOI:
- https://doi.org/10.17188/1274215
Citation Formats
The Materials Project. Materials Data on Cs(WCl3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274215.
The Materials Project. Materials Data on Cs(WCl3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1274215
The Materials Project. 2020.
"Materials Data on Cs(WCl3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1274215. https://www.osti.gov/servlets/purl/1274215. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1274215,
title = {Materials Data on Cs(WCl3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs(WCl3)3 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. There are three shorter (3.65 Å) and three longer (3.68 Å) Cs–Cl bond lengths. W+2.67+ is bonded to five Cl1- atoms to form corner-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.41–2.49 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and one W+2.67+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+2.67+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+2.67+ atoms.},
doi = {10.17188/1274215},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}