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

Abstract

CaCu2O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing CaO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two shorter (2.27 Å) and four longer (2.67 Å) Ca–O bond lengths. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. O2- is bonded to three equivalent Ca2+ and two equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing OCa3Cu2 trigonal bipyramids.

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:
1289448
Report Number(s):
mp-754501
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; Ca(CuO)2; Ca-Cu-O

Citation Formats

The Materials Project. Materials Data on Ca(CuO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289448.
The Materials Project. Materials Data on Ca(CuO)2 by Materials Project. United States. https://doi.org/10.17188/1289448
The Materials Project. 2020. "Materials Data on Ca(CuO)2 by Materials Project". United States. https://doi.org/10.17188/1289448. https://www.osti.gov/servlets/purl/1289448.
@article{osti_1289448,
title = {Materials Data on Ca(CuO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaCu2O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing CaO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two shorter (2.27 Å) and four longer (2.67 Å) Ca–O bond lengths. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. O2- is bonded to three equivalent Ca2+ and two equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing OCa3Cu2 trigonal bipyramids.},
doi = {10.17188/1289448},
url = {https://www.osti.gov/biblio/1289448}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}