U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn3FeO8 by Materials Project
Abstract
Mn3FeO8 is trigonal omega-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Mn3FeO8 sheets oriented in the (0, 0, 1) direction. Mn+4.33+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four equivalent MnO6 octahedra. There is four shorter (1.94 Å) and two longer (1.95 Å) Mn–O bond length. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share edges with six equivalent MnO6 octahedra. All Fe–O bond lengths are 1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn+4.33+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn+4.33+ and one Fe3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1176616
- 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; Mn3FeO8; Fe-Mn-O
- OSTI Identifier:
- 1745490
- DOI:
- https://doi.org/10.17188/1745490
Citation Formats
The Materials Project. Materials Data on Mn3FeO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1745490.
The Materials Project. Materials Data on Mn3FeO8 by Materials Project. United States. doi:https://doi.org/10.17188/1745490
The Materials Project. 2020.
"Materials Data on Mn3FeO8 by Materials Project". United States. doi:https://doi.org/10.17188/1745490. https://www.osti.gov/servlets/purl/1745490. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1745490,
title = {Materials Data on Mn3FeO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3FeO8 is trigonal omega-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Mn3FeO8 sheets oriented in the (0, 0, 1) direction. Mn+4.33+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four equivalent MnO6 octahedra. There is four shorter (1.94 Å) and two longer (1.95 Å) Mn–O bond length. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share edges with six equivalent MnO6 octahedra. All Fe–O bond lengths are 1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn+4.33+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn+4.33+ and one Fe3+ atom.},
doi = {10.17188/1745490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}