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Title: Materials Data on CuCClO by Materials Project

Abstract

CuCOCl crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of one CuCOCl sheet oriented in the (0, 0, 1) direction. Cu1+ is bonded to one C2+ and three equivalent Cl1- atoms to form corner-sharing CuCCl3 tetrahedra. The Cu–C bond length is 1.80 Å. All Cu–Cl bond lengths are 2.37 Å. C2+ is bonded in a linear geometry to one Cu1+ and one O2- atom. The C–O bond length is 1.15 Å. O2- is bonded in a single-bond geometry to one C2+ atom. Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent Cu1+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1272307
Report Number(s):
mp-562090
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; CuCClO; C-Cl-Cu-O

Citation Formats

The Materials Project. Materials Data on CuCClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272307.
The Materials Project. Materials Data on CuCClO by Materials Project. United States. https://doi.org/10.17188/1272307
The Materials Project. 2020. "Materials Data on CuCClO by Materials Project". United States. https://doi.org/10.17188/1272307. https://www.osti.gov/servlets/purl/1272307.
@article{osti_1272307,
title = {Materials Data on CuCClO by Materials Project},
author = {The Materials Project},
abstractNote = {CuCOCl crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of one CuCOCl sheet oriented in the (0, 0, 1) direction. Cu1+ is bonded to one C2+ and three equivalent Cl1- atoms to form corner-sharing CuCCl3 tetrahedra. The Cu–C bond length is 1.80 Å. All Cu–Cl bond lengths are 2.37 Å. C2+ is bonded in a linear geometry to one Cu1+ and one O2- atom. The C–O bond length is 1.15 Å. O2- is bonded in a single-bond geometry to one C2+ atom. Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent Cu1+ atoms.},
doi = {10.17188/1272307},
url = {https://www.osti.gov/biblio/1272307}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}