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Title: Materials Data on Cu(HO)2 by Materials Project

Abstract

Cu(OH)2 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one Cu(OH)2 sheet oriented in the (0, 0, 1) direction. Cu2+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.98–2.35 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 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cu2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cu2+ and one H1+ atom.

Publication Date:
Other Number(s):
mp-625179
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; Cu(HO)2; Cu-H-O
OSTI Identifier:
1278326
DOI:
10.17188/1278326

Citation Formats

The Materials Project. Materials Data on Cu(HO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278326.
The Materials Project. Materials Data on Cu(HO)2 by Materials Project. United States. doi:10.17188/1278326.
The Materials Project. 2020. "Materials Data on Cu(HO)2 by Materials Project". United States. doi:10.17188/1278326. https://www.osti.gov/servlets/purl/1278326. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1278326,
title = {Materials Data on Cu(HO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu(OH)2 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one Cu(OH)2 sheet oriented in the (0, 0, 1) direction. Cu2+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.98–2.35 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 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cu2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cu2+ and one H1+ atom.},
doi = {10.17188/1278326},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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