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Title: Materials Data on CuH4Pb2(ClO2)2 by Materials Project

Abstract

Pb2Cu(OH)4Cl2 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one hydrochloric acid molecule and one CuPb2H4O4Cl sheet oriented in the (0, 0, 1) direction. In the CuPb2H4O4Cl sheet, Cu2+ is bonded in a 4-coordinate geometry to four equivalent O2- and one Cl1- atom. All Cu–O bond lengths are 2.00 Å. The Cu–Cl bond length is 2.58 Å. Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Pb–O bond lengths are 2.50 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 1-coordinate geometry to one Cu2+, two equivalent Pb2+, and one H1+ atom. Cl1- is bonded in a 1-coordinate geometry to one Cu2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-643378
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; CuH4Pb2(ClO2)2; Cl-Cu-H-O-Pb
OSTI Identifier:
1280301
DOI:
10.17188/1280301

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CuH4Pb2(ClO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280301.
Persson, Kristin, & Project, Materials. Materials Data on CuH4Pb2(ClO2)2 by Materials Project. United States. doi:10.17188/1280301.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CuH4Pb2(ClO2)2 by Materials Project". United States. doi:10.17188/1280301. https://www.osti.gov/servlets/purl/1280301. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1280301,
title = {Materials Data on CuH4Pb2(ClO2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pb2Cu(OH)4Cl2 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one hydrochloric acid molecule and one CuPb2H4O4Cl sheet oriented in the (0, 0, 1) direction. In the CuPb2H4O4Cl sheet, Cu2+ is bonded in a 4-coordinate geometry to four equivalent O2- and one Cl1- atom. All Cu–O bond lengths are 2.00 Å. The Cu–Cl bond length is 2.58 Å. Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Pb–O bond lengths are 2.50 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 1-coordinate geometry to one Cu2+, two equivalent Pb2+, and one H1+ atom. Cl1- is bonded in a 1-coordinate geometry to one Cu2+ atom.},
doi = {10.17188/1280301},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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