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Title: Materials Data on CoCu2O3 by Materials Project

Abstract

CoCu2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent CuO6 octahedra, corners with four equivalent CoO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with eight equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Co–O bond distances ranging from 2.07–2.16 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share a cornercorner with one CoO6 octahedra, corners with five equivalent CuO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with eight equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Cu–O bond distances ranging from 2.07–2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Co2+ and five equivalent Cu2+ atoms to form a mixture of edge and corner-sharing OCoCu5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second O2- site, O2- is bonded to four equivalent Co2+ and two equivalent Cu2+ atoms to form a mixture of edge and corner-sharing OCo4Cu2 octahedra. The corner-sharingmore » octahedral tilt angles are 0°.« less

Publication Date:
Other Number(s):
mp-1226124
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; CoCu2O3; Co-Cu-O
OSTI Identifier:
1682675
DOI:
https://doi.org/10.17188/1682675

Citation Formats

The Materials Project. Materials Data on CoCu2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682675.
The Materials Project. Materials Data on CoCu2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1682675
The Materials Project. 2020. "Materials Data on CoCu2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1682675. https://www.osti.gov/servlets/purl/1682675. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1682675,
title = {Materials Data on CoCu2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {CoCu2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent CuO6 octahedra, corners with four equivalent CoO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with eight equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Co–O bond distances ranging from 2.07–2.16 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share a cornercorner with one CoO6 octahedra, corners with five equivalent CuO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with eight equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Cu–O bond distances ranging from 2.07–2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Co2+ and five equivalent Cu2+ atoms to form a mixture of edge and corner-sharing OCoCu5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second O2- site, O2- is bonded to four equivalent Co2+ and two equivalent Cu2+ atoms to form a mixture of edge and corner-sharing OCo4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1682675},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}