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Title: Materials Data on CsCoH18N6(ClO2)4 by Materials Project

Abstract

Cs(O2Cl)4Co(NH3)6 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three azane;cobalt molecules and three Cs(O2Cl)4 sheets oriented in the (0, 0, 1) direction. In each Cs(O2Cl)4 sheet, Cs1+ is bonded in a distorted body-centered cubic geometry to six equivalent O2- and two equivalent Cl1- atoms. All Cs–O bond lengths are 3.09 Å. Both Cs–Cl bond lengths are 3.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one Cl1- atom. The O–Cl bond length is 1.46 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cs1+ atom. In the second Cl1- site, Cl1- is bonded in a tetrahedral geometry to four O2- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-735563
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsCoH18N6(ClO2)4; Cl-Co-Cs-H-N-O
OSTI Identifier:
1287821
DOI:
10.17188/1287821

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CsCoH18N6(ClO2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287821.
Persson, Kristin, & Project, Materials. Materials Data on CsCoH18N6(ClO2)4 by Materials Project. United States. doi:10.17188/1287821.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CsCoH18N6(ClO2)4 by Materials Project". United States. doi:10.17188/1287821. https://www.osti.gov/servlets/purl/1287821. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1287821,
title = {Materials Data on CsCoH18N6(ClO2)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cs(O2Cl)4Co(NH3)6 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three azane;cobalt molecules and three Cs(O2Cl)4 sheets oriented in the (0, 0, 1) direction. In each Cs(O2Cl)4 sheet, Cs1+ is bonded in a distorted body-centered cubic geometry to six equivalent O2- and two equivalent Cl1- atoms. All Cs–O bond lengths are 3.09 Å. Both Cs–Cl bond lengths are 3.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one Cl1- atom. The O–Cl bond length is 1.46 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cs1+ atom. In the second Cl1- site, Cl1- is bonded in a tetrahedral geometry to four O2- atoms.},
doi = {10.17188/1287821},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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