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Title: Materials Data on ZnFe4CoO8 by Materials Project

Abstract

Fe4CoZnO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with three equivalent CoO4 tetrahedra, corners with three equivalent ZnO4 tetrahedra, and edges with six equivalent FeO6 octahedra. All Fe–O bond lengths are 2.05 Å. Co2+ is bonded to four equivalent O2- atoms to form CoO4 tetrahedra that share corners with twelve equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Co–O bond lengths are 2.00 Å. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with twelve equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–O bond lengths are 2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Fe3+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OZnFe3 trigonal pyramids. In the second O2- site, O2- is bonded to three equivalent Fe3+ and one Co2+ atom to form distorted OFe3Co trigonal pyramids that share corners with twelve OZnFe3 trigonal pyramids and edges with three equivalent OFe3Co trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1215623
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; ZnFe4CoO8; Co-Fe-O-Zn
OSTI Identifier:
1731321
DOI:
https://doi.org/10.17188/1731321

Citation Formats

The Materials Project. Materials Data on ZnFe4CoO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731321.
The Materials Project. Materials Data on ZnFe4CoO8 by Materials Project. United States. doi:https://doi.org/10.17188/1731321
The Materials Project. 2020. "Materials Data on ZnFe4CoO8 by Materials Project". United States. doi:https://doi.org/10.17188/1731321. https://www.osti.gov/servlets/purl/1731321. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1731321,
title = {Materials Data on ZnFe4CoO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe4CoZnO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with three equivalent CoO4 tetrahedra, corners with three equivalent ZnO4 tetrahedra, and edges with six equivalent FeO6 octahedra. All Fe–O bond lengths are 2.05 Å. Co2+ is bonded to four equivalent O2- atoms to form CoO4 tetrahedra that share corners with twelve equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Co–O bond lengths are 2.00 Å. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with twelve equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–O bond lengths are 2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Fe3+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OZnFe3 trigonal pyramids. In the second O2- site, O2- is bonded to three equivalent Fe3+ and one Co2+ atom to form distorted OFe3Co trigonal pyramids that share corners with twelve OZnFe3 trigonal pyramids and edges with three equivalent OFe3Co trigonal pyramids.},
doi = {10.17188/1731321},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}