U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-753397
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cu-Ga-O; Ga2CuO4; crystal structure
- OSTI Identifier:
- 1289014
- DOI:
- https://doi.org/10.17188/1289014
Citation Formats
Materials Data on Ga2CuO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289014.
Materials Data on Ga2CuO4 by Materials Project. United States. doi:https://doi.org/10.17188/1289014
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 04:00:00 UTC 2020
@article{osti_1289014,
title = {Materials Data on Ga2CuO4 by 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}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.