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

Abstract

Cd(OH)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form a mixture of edge, corner, and face-sharing CdO6 octahedra. The corner-sharing octahedra tilt angles range from 31–64°. There are a spread of Cd–O bond distances ranging from 2.29–2.51 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form a mixture of edge, corner, and face-sharing CdO6 octahedra. The corner-sharing octahedra tilt angles range from 31–64°. There are a spread of Cd–O bond distances ranging from 2.29–2.51 Å. There are four 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 0.98 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. In the third 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 fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length ismore » 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to four Cd2+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two Cd2+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Cd2+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Cd2+ and one H1+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-625094
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; Cd(HO)2; Cd-H-O
OSTI Identifier:
1278298
DOI:
10.17188/1278298

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cd(HO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278298.
Persson, Kristin, & Project, Materials. Materials Data on Cd(HO)2 by Materials Project. United States. doi:10.17188/1278298.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cd(HO)2 by Materials Project". United States. doi:10.17188/1278298. https://www.osti.gov/servlets/purl/1278298. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1278298,
title = {Materials Data on Cd(HO)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cd(OH)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form a mixture of edge, corner, and face-sharing CdO6 octahedra. The corner-sharing octahedra tilt angles range from 31–64°. There are a spread of Cd–O bond distances ranging from 2.29–2.51 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form a mixture of edge, corner, and face-sharing CdO6 octahedra. The corner-sharing octahedra tilt angles range from 31–64°. There are a spread of Cd–O bond distances ranging from 2.29–2.51 Å. There are four 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 0.98 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. In the third 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 fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to four Cd2+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two Cd2+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Cd2+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Cd2+ and one H1+ atom.},
doi = {10.17188/1278298},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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