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Title: Materials Data on Cr(ClO2)3 by Materials Project

Abstract

Cr(O2Cl)3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two Cr(O2Cl)3 ribbons oriented in the (1, 0, 1) direction. Cr is bonded in a distorted octahedral geometry to four O and two equivalent Cl atoms. There is two shorter (1.71 Å) and two longer (1.95 Å) Cr–O bond length. Both Cr–Cl bond lengths are 2.48 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cr atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Cr and one Cl atom. The O–Cl bond length is 1.72 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.55 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a linear geometry to two equivalent O atoms. In the second Cl site, Cl is bonded in a water-like geometry to one Cr and one O atom.

Authors:
Publication Date:
Other Number(s):
mp-1189452
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; Cr(ClO2)3; Cl-Cr-O
OSTI Identifier:
1696213
DOI:
https://doi.org/10.17188/1696213

Citation Formats

The Materials Project. Materials Data on Cr(ClO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1696213.
The Materials Project. Materials Data on Cr(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1696213
The Materials Project. 2020. "Materials Data on Cr(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1696213. https://www.osti.gov/servlets/purl/1696213. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1696213,
title = {Materials Data on Cr(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr(O2Cl)3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two Cr(O2Cl)3 ribbons oriented in the (1, 0, 1) direction. Cr is bonded in a distorted octahedral geometry to four O and two equivalent Cl atoms. There is two shorter (1.71 Å) and two longer (1.95 Å) Cr–O bond length. Both Cr–Cl bond lengths are 2.48 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cr atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Cr and one Cl atom. The O–Cl bond length is 1.72 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.55 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a linear geometry to two equivalent O atoms. In the second Cl site, Cl is bonded in a water-like geometry to one Cr and one O atom.},
doi = {10.17188/1696213},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}