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Title: 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.

Publication Date:
Other Number(s):
mp-770086
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; FeNiO3; Fe-Ni-O
OSTI Identifier:
1299477
DOI:
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:10.17188/1299477.
The Materials Project. 2017. "Materials Data on FeNiO3 by Materials Project". United States. doi: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}
}

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