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Title: Materials Data on CoH2Cl2O by Materials Project

Abstract

CoH2OCl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two CoH2OCl2 ribbons oriented in the (1, 0, 0) direction. Co2+ is bonded to one O2- and five Cl1- atoms to form edge-sharing CoCl5O octahedra. The Co–O bond length is 2.03 Å. There are a spread of Co–Cl bond distances ranging from 2.45–2.51 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one Co2+ and two H1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Co2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three equivalent Co2+ atoms.

Publication Date:
Other Number(s):
mp-1192030
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; CoH2Cl2O; Cl-Co-H-O
OSTI Identifier:
1676838
DOI:
https://doi.org/10.17188/1676838

Citation Formats

The Materials Project. Materials Data on CoH2Cl2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676838.
The Materials Project. Materials Data on CoH2Cl2O by Materials Project. United States. doi:https://doi.org/10.17188/1676838
The Materials Project. 2020. "Materials Data on CoH2Cl2O by Materials Project". United States. doi:https://doi.org/10.17188/1676838. https://www.osti.gov/servlets/purl/1676838. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1676838,
title = {Materials Data on CoH2Cl2O by Materials Project},
author = {The Materials Project},
abstractNote = {CoH2OCl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two CoH2OCl2 ribbons oriented in the (1, 0, 0) direction. Co2+ is bonded to one O2- and five Cl1- atoms to form edge-sharing CoCl5O octahedra. The Co–O bond length is 2.03 Å. There are a spread of Co–Cl bond distances ranging from 2.45–2.51 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one Co2+ and two H1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Co2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three equivalent Co2+ atoms.},
doi = {10.17188/1676838},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}