U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2ZnCl4 by Materials Project
Abstract
Cs2ZnCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.67–4.02 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.51–3.88 Å. Zn2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are one shorter (2.28 Å) and three longer (2.29 Å) Zn–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to five Cs1+ and one Zn2+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Zn2+ atom.
- Publication Date:
- Other Number(s):
- mp-540578
- 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-Zn; Cs2ZnCl4; crystal structure
- OSTI Identifier:
- 1264403
- DOI:
- https://doi.org/10.17188/1264403
Citation Formats
Materials Data on Cs2ZnCl4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264403.
Materials Data on Cs2ZnCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1264403
2020.
"Materials Data on Cs2ZnCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1264403. https://www.osti.gov/servlets/purl/1264403. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1264403,
title = {Materials Data on Cs2ZnCl4 by Materials Project},
abstractNote = {Cs2ZnCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.67–4.02 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.51–3.88 Å. Zn2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are one shorter (2.28 Å) and three longer (2.29 Å) Zn–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to five Cs1+ and one Zn2+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Zn2+ atom.},
doi = {10.17188/1264403},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}