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Title: Materials Data on CuCl3 by Materials Project

Abstract

CuCl3 crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of eight CuCl3 ribbons oriented in the (0, 0, 1) direction. Cu3+ is bonded to four Cl1- atoms to form corner-sharing CuCl4 tetrahedra. There are two shorter (2.17 Å) and two longer (2.25 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu3+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Cu3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1213141
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; CuCl3; Cl-Cu
OSTI Identifier:
1698447
DOI:
https://doi.org/10.17188/1698447

Citation Formats

The Materials Project. Materials Data on CuCl3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1698447.
The Materials Project. Materials Data on CuCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1698447
The Materials Project. 2019. "Materials Data on CuCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1698447. https://www.osti.gov/servlets/purl/1698447. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1698447,
title = {Materials Data on CuCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {CuCl3 crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of eight CuCl3 ribbons oriented in the (0, 0, 1) direction. Cu3+ is bonded to four Cl1- atoms to form corner-sharing CuCl4 tetrahedra. There are two shorter (2.17 Å) and two longer (2.25 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu3+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Cu3+ atoms.},
doi = {10.17188/1698447},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}