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Title: Materials Data on Cs3Cl5O by Materials Project

Abstract

(Cs3Cl5)2O2 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional and consists of two water molecules and one Cs3Cl5 framework. In the Cs3Cl5 framework, Cs is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.29–3.85 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 7-coordinate geometry to six equivalent Cs and one Cl atom. The Cl–Cl bond length is 2.66 Å. In the second Cl site, Cl is bonded in a 4-coordinate geometry to four equivalent Cs atoms. In the third Cl site, Cl is bonded in a 7-coordinate geometry to six equivalent Cs and one Cl atom.

Authors:
Publication Date:
Other Number(s):
mp-1226409
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; Cs3Cl5O; Cl-Cs-O
OSTI Identifier:
1744113
DOI:
https://doi.org/10.17188/1744113

Citation Formats

The Materials Project. Materials Data on Cs3Cl5O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744113.
The Materials Project. Materials Data on Cs3Cl5O by Materials Project. United States. doi:https://doi.org/10.17188/1744113
The Materials Project. 2020. "Materials Data on Cs3Cl5O by Materials Project". United States. doi:https://doi.org/10.17188/1744113. https://www.osti.gov/servlets/purl/1744113. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1744113,
title = {Materials Data on Cs3Cl5O by Materials Project},
author = {The Materials Project},
abstractNote = {(Cs3Cl5)2O2 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional and consists of two water molecules and one Cs3Cl5 framework. In the Cs3Cl5 framework, Cs is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.29–3.85 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 7-coordinate geometry to six equivalent Cs and one Cl atom. The Cl–Cl bond length is 2.66 Å. In the second Cl site, Cl is bonded in a 4-coordinate geometry to four equivalent Cs atoms. In the third Cl site, Cl is bonded in a 7-coordinate geometry to six equivalent Cs and one Cl atom.},
doi = {10.17188/1744113},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}