U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al(FeO2)2 by Materials Project
Abstract
AlFe2O4 is Spinel structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Fe+2.50+ sites. In the first Fe+2.50+ site, Fe+2.50+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six FeO6 octahedra. All Fe–O bond lengths are 2.11 Å. In the second Fe+2.50+ site, Fe+2.50+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six equivalent FeO6 octahedra. All Fe–O bond lengths are 2.07 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with twelve FeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There is one shorter (1.79 Å) and three longer (1.82 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Fe+2.50+ and one Al3+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Fe+2.50+ and one Al3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-10947
- 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; Al(FeO2)2; Al-Fe-O
- OSTI Identifier:
- 1318063
- DOI:
- https://doi.org/10.17188/1318063
Citation Formats
The Materials Project. Materials Data on Al(FeO2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318063.
The Materials Project. Materials Data on Al(FeO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1318063
The Materials Project. 2020.
"Materials Data on Al(FeO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1318063. https://www.osti.gov/servlets/purl/1318063. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1318063,
title = {Materials Data on Al(FeO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AlFe2O4 is Spinel structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Fe+2.50+ sites. In the first Fe+2.50+ site, Fe+2.50+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six FeO6 octahedra. All Fe–O bond lengths are 2.11 Å. In the second Fe+2.50+ site, Fe+2.50+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six equivalent FeO6 octahedra. All Fe–O bond lengths are 2.07 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with twelve FeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There is one shorter (1.79 Å) and three longer (1.82 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Fe+2.50+ and one Al3+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Fe+2.50+ and one Al3+ atom.},
doi = {10.17188/1318063},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}