U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgFeO3 by Materials Project
Abstract
MgFeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to eight O atoms. There are a spread of Mg–O bond distances ranging from 2.07–2.66 Å. Fe is bonded to six O atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 40–42°. There are a spread of Fe–O bond distances ranging from 1.93–1.99 Å. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Mg and two equivalent Fe atoms to form corner-sharing OMg2Fe2 trigonal pyramids. In the second O site, O is bonded in a 5-coordinate geometry to three equivalent Mg and two equivalent Fe atoms.
- Publication Date:
- Other Number(s):
- mvc-15898
- 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; Fe-Mg-O; MgFeO3; crystal structure
- OSTI Identifier:
- 1319581
- DOI:
- https://doi.org/10.17188/1319581
Citation Formats
Materials Data on MgFeO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319581.
Materials Data on MgFeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1319581
2020.
"Materials Data on MgFeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1319581. https://www.osti.gov/servlets/purl/1319581. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1319581,
title = {Materials Data on MgFeO3 by Materials Project},
abstractNote = {MgFeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to eight O atoms. There are a spread of Mg–O bond distances ranging from 2.07–2.66 Å. Fe is bonded to six O atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 40–42°. There are a spread of Fe–O bond distances ranging from 1.93–1.99 Å. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Mg and two equivalent Fe atoms to form corner-sharing OMg2Fe2 trigonal pyramids. In the second O site, O is bonded in a 5-coordinate geometry to three equivalent Mg and two equivalent Fe atoms.},
doi = {10.17188/1319581},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}