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Title: Materials Data on Ca(CuO2)2 by Materials Project

Abstract

Ca2CuO2(CuO2)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of three copper(ii) hydroxide molecules and one Ca2CuO2 cluster. In the Ca2CuO2 cluster, Ca2+ is bonded in a 1-coordinate geometry to one O2- atom. The Ca–O bond length is 1.54 Å. Cu3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.57 Å. O2- is bonded in a distorted L-shaped geometry to one Ca2+ and one Cu3+ atom.

Authors:
Publication Date:
Other Number(s):
mvc-4685
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; Ca(CuO2)2; Ca-Cu-O
OSTI Identifier:
1321116
DOI:
https://doi.org/10.17188/1321116

Citation Formats

The Materials Project. Materials Data on Ca(CuO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1321116.
The Materials Project. Materials Data on Ca(CuO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1321116
The Materials Project. 2020. "Materials Data on Ca(CuO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1321116. https://www.osti.gov/servlets/purl/1321116. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1321116,
title = {Materials Data on Ca(CuO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2CuO2(CuO2)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of three copper(ii) hydroxide molecules and one Ca2CuO2 cluster. In the Ca2CuO2 cluster, Ca2+ is bonded in a 1-coordinate geometry to one O2- atom. The Ca–O bond length is 1.54 Å. Cu3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.57 Å. O2- is bonded in a distorted L-shaped geometry to one Ca2+ and one Cu3+ atom.},
doi = {10.17188/1321116},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}