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

Abstract

Zn(OH)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Zn2+ is bonded to four O2- atoms to form corner-sharing ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.98–2.00 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 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Zn2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Zn2+ and one H1+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-625830
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; Zn(HO)2; H-O-Zn
OSTI Identifier:
1278479
DOI:
10.17188/1278479

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Zn(HO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278479.
Persson, Kristin, & Project, Materials. Materials Data on Zn(HO)2 by Materials Project. United States. doi:10.17188/1278479.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Zn(HO)2 by Materials Project". United States. doi:10.17188/1278479. https://www.osti.gov/servlets/purl/1278479. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1278479,
title = {Materials Data on Zn(HO)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Zn(OH)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Zn2+ is bonded to four O2- atoms to form corner-sharing ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.98–2.00 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 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Zn2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Zn2+ and one H1+ atom.},
doi = {10.17188/1278479},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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