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Title: Materials Data on Fe2CuO4 by Materials Project

Abstract

CuFe2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with six equivalent FeO6 octahedra. There are two shorter (2.04 Å) and four longer (2.05 Å) Fe–O bond lengths. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 57–59°. All Cu–O bond lengths are 1.99 Å. O2- is bonded to three equivalent Fe3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OFe3Cu trigonal pyramids.

Publication Date:
Other Number(s):
mp-770107
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; Fe2CuO4; Cu-Fe-O
OSTI Identifier:
1299499
DOI:
10.17188/1299499

Citation Formats

The Materials Project. Materials Data on Fe2CuO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299499.
The Materials Project. Materials Data on Fe2CuO4 by Materials Project. United States. doi:10.17188/1299499.
The Materials Project. 2020. "Materials Data on Fe2CuO4 by Materials Project". United States. doi:10.17188/1299499. https://www.osti.gov/servlets/purl/1299499. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1299499,
title = {Materials Data on Fe2CuO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CuFe2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with six equivalent FeO6 octahedra. There are two shorter (2.04 Å) and four longer (2.05 Å) Fe–O bond lengths. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 57–59°. All Cu–O bond lengths are 1.99 Å. O2- is bonded to three equivalent Fe3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OFe3Cu trigonal pyramids.},
doi = {10.17188/1299499},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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