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Title: Materials Data on CuHClO by Materials Project

Abstract

Cu(OH)Cl crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Cu(OH)Cl sheet oriented in the (0, 0, 1) direction. Cu2+ is bonded in a 6-coordinate geometry to three equivalent O2- and three equivalent Cl1- atoms. There are a spread of Cu–O bond distances ranging from 2.00–2.08 Å. There are a spread of Cu–Cl bond distances ranging from 2.29–2.87 Å. 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 single-bond geometry to three equivalent Cu2+ and one H1+ atom. Cl1- is bonded in a 1-coordinate geometry to three equivalent Cu2+ atoms.

Publication Date:
Other Number(s):
mp-643743
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; CuHClO; Cl-Cu-H-O
OSTI Identifier:
1280355
DOI:
10.17188/1280355

Citation Formats

The Materials Project. Materials Data on CuHClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280355.
The Materials Project. Materials Data on CuHClO by Materials Project. United States. doi:10.17188/1280355.
The Materials Project. 2020. "Materials Data on CuHClO by Materials Project". United States. doi:10.17188/1280355. https://www.osti.gov/servlets/purl/1280355. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1280355,
title = {Materials Data on CuHClO by Materials Project},
author = {The Materials Project},
abstractNote = {Cu(OH)Cl crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Cu(OH)Cl sheet oriented in the (0, 0, 1) direction. Cu2+ is bonded in a 6-coordinate geometry to three equivalent O2- and three equivalent Cl1- atoms. There are a spread of Cu–O bond distances ranging from 2.00–2.08 Å. There are a spread of Cu–Cl bond distances ranging from 2.29–2.87 Å. 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 single-bond geometry to three equivalent Cu2+ and one H1+ atom. Cl1- is bonded in a 1-coordinate geometry to three equivalent Cu2+ atoms.},
doi = {10.17188/1280355},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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