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Title: Materials Data on CuPb2Cl3O2 by Materials Project

Abstract

CuCl3(PbO)2 crystallizes in the tetragonal I4_1/acd space group. The structure is one-dimensional and consists of eight PbO clusters and four CuCl3 ribbons oriented in the (0, 0, 1) direction. In each PbO cluster, Pb3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are one shorter (2.28 Å) and two longer (2.29 Å) Pb–O bond lengths. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb3+ atoms. In each CuCl3 ribbon, Cu1+ is bonded to four Cl1- atoms to form corner-sharing CuCl4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.43 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cu1+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1195366
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CuPb2Cl3O2; Cl-Cu-O-Pb
OSTI Identifier:
1741993
DOI:
https://doi.org/10.17188/1741993

Citation Formats

The Materials Project. Materials Data on CuPb2Cl3O2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741993.
The Materials Project. Materials Data on CuPb2Cl3O2 by Materials Project. United States. doi:https://doi.org/10.17188/1741993
The Materials Project. 2020. "Materials Data on CuPb2Cl3O2 by Materials Project". United States. doi:https://doi.org/10.17188/1741993. https://www.osti.gov/servlets/purl/1741993. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1741993,
title = {Materials Data on CuPb2Cl3O2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuCl3(PbO)2 crystallizes in the tetragonal I4_1/acd space group. The structure is one-dimensional and consists of eight PbO clusters and four CuCl3 ribbons oriented in the (0, 0, 1) direction. In each PbO cluster, Pb3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are one shorter (2.28 Å) and two longer (2.29 Å) Pb–O bond lengths. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb3+ atoms. In each CuCl3 ribbon, Cu1+ is bonded to four Cl1- atoms to form corner-sharing CuCl4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.43 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cu1+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent Cu1+ atoms.},
doi = {10.17188/1741993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}