U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaFeO2 by Materials Project
Abstract
CaFeO2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing CaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–65°. There are a spread of Ca–O bond distances ranging from 2.34–2.57 Å. Fe2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Fe–O bond lengths are 2.04 Å. O2- is bonded to three equivalent Ca2+ and two equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing OCa3Fe2 trigonal bipyramids.
- Publication Date:
- Other Number(s):
- mp-1079680
- 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; Ca-Fe-O; CaFeO2; crystal structure
- OSTI Identifier:
- 1743929
- DOI:
- https://doi.org/10.17188/1743929
Citation Formats
Materials Data on CaFeO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1743929.
Materials Data on CaFeO2 by Materials Project. United States. doi:https://doi.org/10.17188/1743929
2020.
"Materials Data on CaFeO2 by Materials Project". United States. doi:https://doi.org/10.17188/1743929. https://www.osti.gov/servlets/purl/1743929. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1743929,
title = {Materials Data on CaFeO2 by Materials Project},
abstractNote = {CaFeO2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing CaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–65°. There are a spread of Ca–O bond distances ranging from 2.34–2.57 Å. Fe2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Fe–O bond lengths are 2.04 Å. O2- is bonded to three equivalent Ca2+ and two equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing OCa3Fe2 trigonal bipyramids.},
doi = {10.17188/1743929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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