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Title: Materials Data on Cu(CO2)2 by Materials Project

Abstract

CuC2O4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 2.11–2.58 Å. C3+ is bonded in a bent 150 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Cu2+ and one C3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cu2+ and one C3+ atom.

Publication Date:
Other Number(s):
mp-1104057
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; Cu(CO2)2; C-Cu-O
OSTI Identifier:
1683237
DOI:
https://doi.org/10.17188/1683237

Citation Formats

The Materials Project. Materials Data on Cu(CO2)2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1683237.
The Materials Project. Materials Data on Cu(CO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1683237
The Materials Project. 2018. "Materials Data on Cu(CO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1683237. https://www.osti.gov/servlets/purl/1683237. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1683237,
title = {Materials Data on Cu(CO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuC2O4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 2.11–2.58 Å. C3+ is bonded in a bent 150 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Cu2+ and one C3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cu2+ and one C3+ atom.},
doi = {10.17188/1683237},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}