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Title: Materials Data on Fe(NiO2)2 by Materials Project

Abstract

Ni2FeO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent O2- atoms to form FeO4 tetrahedra that share corners with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Fe–O bond lengths are 1.92 Å. Ni+2.50+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent FeO4 tetrahedra and edges with six equivalent NiO6 octahedra. All Ni–O bond lengths are 2.02 Å. O2- is bonded to one Fe3+ and three equivalent Ni+2.50+ atoms to form a mixture of distorted edge and corner-sharing OFeNi3 trigonal pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-640147
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; Fe(NiO2)2; Fe-Ni-O
OSTI Identifier:
1279905
DOI:
10.17188/1279905

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Fe(NiO2)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1279905.
Persson, Kristin, & Project, Materials. Materials Data on Fe(NiO2)2 by Materials Project. United States. doi:10.17188/1279905.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Fe(NiO2)2 by Materials Project". United States. doi:10.17188/1279905. https://www.osti.gov/servlets/purl/1279905. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1279905,
title = {Materials Data on Fe(NiO2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ni2FeO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent O2- atoms to form FeO4 tetrahedra that share corners with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Fe–O bond lengths are 1.92 Å. Ni+2.50+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent FeO4 tetrahedra and edges with six equivalent NiO6 octahedra. All Ni–O bond lengths are 2.02 Å. O2- is bonded to one Fe3+ and three equivalent Ni+2.50+ atoms to form a mixture of distorted edge and corner-sharing OFeNi3 trigonal pyramids.},
doi = {10.17188/1279905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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