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Title: Materials Data on Cs2CrCl5O4 by Materials Project

Abstract

Cs2CrO4Cl5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.34–3.62 Å. Cr is bonded in a distorted octahedral geometry to four equivalent O and two equivalent Cl atoms. All Cr–O bond lengths are 1.82 Å. Both Cr–Cl bond lengths are 2.36 Å. O is bonded in a single-bond geometry to one Cr atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to four equivalent Cs atoms. In the second Cl site, Cl is bonded in a distorted single-bond geometry to three equivalent Cs and one Cr atom. In the third Cl site, Cl is bonded in a linear geometry to two equivalent Cs atoms.

Authors:
Publication Date:
Other Number(s):
mp-1103456
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; Cs2CrCl5O4; Cl-Cr-Cs-O
OSTI Identifier:
1698435
DOI:
https://doi.org/10.17188/1698435

Citation Formats

The Materials Project. Materials Data on Cs2CrCl5O4 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1698435.
The Materials Project. Materials Data on Cs2CrCl5O4 by Materials Project. United States. doi:https://doi.org/10.17188/1698435
The Materials Project. 2018. "Materials Data on Cs2CrCl5O4 by Materials Project". United States. doi:https://doi.org/10.17188/1698435. https://www.osti.gov/servlets/purl/1698435. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1698435,
title = {Materials Data on Cs2CrCl5O4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2CrO4Cl5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.34–3.62 Å. Cr is bonded in a distorted octahedral geometry to four equivalent O and two equivalent Cl atoms. All Cr–O bond lengths are 1.82 Å. Both Cr–Cl bond lengths are 2.36 Å. O is bonded in a single-bond geometry to one Cr atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to four equivalent Cs atoms. In the second Cl site, Cl is bonded in a distorted single-bond geometry to three equivalent Cs and one Cr atom. In the third Cl site, Cl is bonded in a linear geometry to two equivalent Cs atoms.},
doi = {10.17188/1698435},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}