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Title: Materials Data on Cu2O3 by Materials Project

Abstract

Cu2O3 is Hausmannite-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cu–O bond lengths are 1.99 Å. In the second Cu3+ site, Cu3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing CuO6 octahedra. The corner-sharing octahedra tilt angles range from 49–61°. There are a spread of Cu–O bond distances ranging from 1.89–2.21 Å. O2- is bonded in a distorted rectangular see-saw-like geometry to four Cu3+ atoms.

Publication Date:
Other Number(s):
mp-771359
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; Cu2O3; Cu-O
OSTI Identifier:
1300466
DOI:
10.17188/1300466

Citation Formats

The Materials Project. Materials Data on Cu2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300466.
The Materials Project. Materials Data on Cu2O3 by Materials Project. United States. doi:10.17188/1300466.
The Materials Project. 2020. "Materials Data on Cu2O3 by Materials Project". United States. doi:10.17188/1300466. https://www.osti.gov/servlets/purl/1300466. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1300466,
title = {Materials Data on Cu2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2O3 is Hausmannite-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cu–O bond lengths are 1.99 Å. In the second Cu3+ site, Cu3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing CuO6 octahedra. The corner-sharing octahedra tilt angles range from 49–61°. There are a spread of Cu–O bond distances ranging from 1.89–2.21 Å. O2- is bonded in a distorted rectangular see-saw-like geometry to four Cu3+ atoms.},
doi = {10.17188/1300466},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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