Materials Data on CeFe4(CuO4)3 by Materials Project
Abstract
CeFe4(CuO4)3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce4+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share faces with eight equivalent FeO6 octahedra. All Ce–O bond lengths are 2.60 Å. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with two equivalent CeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. All Fe–O bond lengths are 2.02 Å. Cu+2.67+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. O2- is bonded in a 4-coordinate geometry to one Ce4+, two equivalent Fe3+, and one Cu+2.67+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1105352
- 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; CeFe4(CuO4)3; Ce-Cu-Fe-O
- OSTI Identifier:
- 1729392
- DOI:
- https://doi.org/10.17188/1729392
Citation Formats
The Materials Project. Materials Data on CeFe4(CuO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1729392.
The Materials Project. Materials Data on CeFe4(CuO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1729392
The Materials Project. 2020.
"Materials Data on CeFe4(CuO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1729392. https://www.osti.gov/servlets/purl/1729392. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1729392,
title = {Materials Data on CeFe4(CuO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {CeFe4(CuO4)3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce4+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share faces with eight equivalent FeO6 octahedra. All Ce–O bond lengths are 2.60 Å. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with two equivalent CeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. All Fe–O bond lengths are 2.02 Å. Cu+2.67+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. O2- is bonded in a 4-coordinate geometry to one Ce4+, two equivalent Fe3+, and one Cu+2.67+ atom.},
doi = {10.17188/1729392},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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