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Title: Materials Data on CoH5CN(ClO)2 by Materials Project

Abstract

CoCH(OCl)2NH4 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four ammonium molecules and two CoCH(OCl)2 ribbons oriented in the (0, 0, 1) direction. In each CoCH(OCl)2 ribbon, Co2+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form edge-sharing CoCl4O2 octahedra. Both Co–O bond lengths are 2.12 Å. There are two shorter (2.45 Å) and two longer (2.47 Å) Co–Cl bond lengths. C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a 2-coordinate geometry to one Co2+ and one C2+ atom. Cl1- is bonded in an L-shaped geometry to two equivalent Co2+ atoms.

Publication Date:
Other Number(s):
mp-1190433
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; CoH5CN(ClO)2; C-Cl-Co-H-N-O
OSTI Identifier:
1686627
DOI:
https://doi.org/10.17188/1686627

Citation Formats

The Materials Project. Materials Data on CoH5CN(ClO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686627.
The Materials Project. Materials Data on CoH5CN(ClO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1686627
The Materials Project. 2020. "Materials Data on CoH5CN(ClO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1686627. https://www.osti.gov/servlets/purl/1686627. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1686627,
title = {Materials Data on CoH5CN(ClO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoCH(OCl)2NH4 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four ammonium molecules and two CoCH(OCl)2 ribbons oriented in the (0, 0, 1) direction. In each CoCH(OCl)2 ribbon, Co2+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form edge-sharing CoCl4O2 octahedra. Both Co–O bond lengths are 2.12 Å. There are two shorter (2.45 Å) and two longer (2.47 Å) Co–Cl bond lengths. C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a 2-coordinate geometry to one Co2+ and one C2+ atom. Cl1- is bonded in an L-shaped geometry to two equivalent Co2+ atoms.},
doi = {10.17188/1686627},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}