U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeNiO3 by Materials Project
Abstract
FeNiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with nine equivalent NiO6 octahedra, edges with three equivalent FeO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 44–60°. There is three shorter (1.93 Å) and three longer (2.02 Å) Fe–O bond length. Ni3+ is bonded to six equivalent O2- atoms to form distorted NiO6 octahedra that share corners with nine equivalent FeO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one FeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–60°. There are three shorter (2.02 Å) and three longer (2.13 Å) Ni–O bond lengths. O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe3+ and two equivalent Ni3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-770086
- 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; FeNiO3; Fe-Ni-O
- OSTI Identifier:
- 1299477
- DOI:
- https://doi.org/10.17188/1299477
Citation Formats
The Materials Project. Materials Data on FeNiO3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1299477.
The Materials Project. Materials Data on FeNiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1299477
The Materials Project. 2017.
"Materials Data on FeNiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1299477. https://www.osti.gov/servlets/purl/1299477. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1299477,
title = {Materials Data on FeNiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {FeNiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with nine equivalent NiO6 octahedra, edges with three equivalent FeO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 44–60°. There is three shorter (1.93 Å) and three longer (2.02 Å) Fe–O bond length. Ni3+ is bonded to six equivalent O2- atoms to form distorted NiO6 octahedra that share corners with nine equivalent FeO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one FeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–60°. There are three shorter (2.02 Å) and three longer (2.13 Å) Ni–O bond lengths. O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe3+ and two equivalent Ni3+ atoms.},
doi = {10.17188/1299477},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}