U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeCuO2 by Materials Project
Abstract
CuFeO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent O2- atoms to form edge-sharing FeO6 octahedra. All Fe–O bond lengths are 2.05 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.85 Å. O2- is bonded to three equivalent Fe3+ and one Cu1+ atom to form a mixture of distorted corner and edge-sharing OFe3Cu tetrahedra.
- Publication Date:
- Other Number(s):
- mp-505110
- 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-Fe-O; FeCuO2; crystal structure
- OSTI Identifier:
- 1262261
- DOI:
- https://doi.org/10.17188/1262261
Citation Formats
Materials Data on FeCuO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262261.
Materials Data on FeCuO2 by Materials Project. United States. doi:https://doi.org/10.17188/1262261
2020.
"Materials Data on FeCuO2 by Materials Project". United States. doi:https://doi.org/10.17188/1262261. https://www.osti.gov/servlets/purl/1262261. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1262261,
title = {Materials Data on FeCuO2 by Materials Project},
abstractNote = {CuFeO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent O2- atoms to form edge-sharing FeO6 octahedra. All Fe–O bond lengths are 2.05 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.85 Å. O2- is bonded to three equivalent Fe3+ and one Cu1+ atom to form a mixture of distorted corner and edge-sharing OFe3Cu tetrahedra.},
doi = {10.17188/1262261},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}
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