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Title: Materials Data on Co2(ClO2)3 by Materials Project

Abstract

(CoO4)2(CoCl2)2(O2)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four hydrochloric acid molecules; four oxygen molecules; four CoO4 clusters; and two CoCl2 ribbons oriented in the (1, 0, 0) direction. In each CoO4 cluster, Co is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.83 Å) and two longer (1.84 Å) Co–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Co and one O atom. The O–O bond length is 1.36 Å. In the second O site, O is bonded in a 1-coordinate geometry to one Co and one O atom. In each CoCl2 ribbon, there are two inequivalent Co sites. In the first Co site, Co is bonded in a square co-planar geometry to four equivalent Cl atoms. All Co–Cl bond lengths are 2.34 Å. In the second Co site, Co is bonded in a square co-planar geometry to four equivalent Cl atoms. All Co–Cl bond lengths are 2.32 Å. Cl is bonded in an L-shaped geometry to two Co atoms.

Authors:
Publication Date:
Other Number(s):
mp-1215112
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; Co2(ClO2)3; Cl-Co-O
OSTI Identifier:
1692615
DOI:
https://doi.org/10.17188/1692615

Citation Formats

The Materials Project. Materials Data on Co2(ClO2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1692615.
The Materials Project. Materials Data on Co2(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1692615
The Materials Project. 2019. "Materials Data on Co2(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1692615. https://www.osti.gov/servlets/purl/1692615. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1692615,
title = {Materials Data on Co2(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(CoO4)2(CoCl2)2(O2)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four hydrochloric acid molecules; four oxygen molecules; four CoO4 clusters; and two CoCl2 ribbons oriented in the (1, 0, 0) direction. In each CoO4 cluster, Co is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.83 Å) and two longer (1.84 Å) Co–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Co and one O atom. The O–O bond length is 1.36 Å. In the second O site, O is bonded in a 1-coordinate geometry to one Co and one O atom. In each CoCl2 ribbon, there are two inequivalent Co sites. In the first Co site, Co is bonded in a square co-planar geometry to four equivalent Cl atoms. All Co–Cl bond lengths are 2.34 Å. In the second Co site, Co is bonded in a square co-planar geometry to four equivalent Cl atoms. All Co–Cl bond lengths are 2.32 Å. Cl is bonded in an L-shaped geometry to two Co atoms.},
doi = {10.17188/1692615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}