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Title: Materials Data on CdHClO by Materials Project

Abstract

Cd(OH)Cl crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two Cd(OH)Cl sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to three equivalent O2- and three equivalent Cl1- atoms to form distorted edge-sharing CdCl3O3 octahedra. All Cd–O bond lengths are 2.31 Å. All Cd–Cl bond lengths are 2.75 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 Cd2+ and one H1+ atom. Cl1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-644222
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; CdHClO; Cd-Cl-H-O
OSTI Identifier:
1280406
DOI:
10.17188/1280406

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CdHClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280406.
Persson, Kristin, & Project, Materials. Materials Data on CdHClO by Materials Project. United States. doi:10.17188/1280406.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CdHClO by Materials Project". United States. doi:10.17188/1280406. https://www.osti.gov/servlets/purl/1280406. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1280406,
title = {Materials Data on CdHClO by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cd(OH)Cl crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two Cd(OH)Cl sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to three equivalent O2- and three equivalent Cl1- atoms to form distorted edge-sharing CdCl3O3 octahedra. All Cd–O bond lengths are 2.31 Å. All Cd–Cl bond lengths are 2.75 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 Cd2+ and one H1+ atom. Cl1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms.},
doi = {10.17188/1280406},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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