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Title: Materials Data on Ga2CuO4 by Materials Project

Abstract

CuGa2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. All Cu–O bond lengths are 1.99 Å. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with six equivalent GaO6 octahedra. There are two shorter (2.01 Å) and four longer (2.02 Å) Ga–O bond lengths. O2- is bonded to one Cu2+ and three equivalent Ga3+ atoms to form a mixture of distorted corner and edge-sharing OGa3Cu trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-753397
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; Ga2CuO4; Cu-Ga-O
OSTI Identifier:
1289014
DOI:
https://doi.org/10.17188/1289014

Citation Formats

The Materials Project. Materials Data on Ga2CuO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289014.
The Materials Project. Materials Data on Ga2CuO4 by Materials Project. United States. doi:https://doi.org/10.17188/1289014
The Materials Project. 2020. "Materials Data on Ga2CuO4 by Materials Project". United States. doi:https://doi.org/10.17188/1289014. https://www.osti.gov/servlets/purl/1289014. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1289014,
title = {Materials Data on Ga2CuO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CuGa2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. All Cu–O bond lengths are 1.99 Å. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with six equivalent GaO6 octahedra. There are two shorter (2.01 Å) and four longer (2.02 Å) Ga–O bond lengths. O2- is bonded to one Cu2+ and three equivalent Ga3+ atoms to form a mixture of distorted corner and edge-sharing OGa3Cu trigonal pyramids.},
doi = {10.17188/1289014},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}