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Title: Materials Data on FeCuO2 by Materials Project

Abstract

CuFeO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent O2- atoms to form edge-sharing FeO6 octahedra. All Fe–O bond lengths are 2.05 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.85 Å. O2- is bonded to three equivalent Fe3+ and one Cu1+ atom to form a mixture of distorted corner and edge-sharing OFe3Cu tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505110
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; FeCuO2; Cu-Fe-O
OSTI Identifier:
1262261
DOI:
10.17188/1262261

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on FeCuO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262261.
Persson, Kristin, & Project, Materials. Materials Data on FeCuO2 by Materials Project. United States. doi:10.17188/1262261.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on FeCuO2 by Materials Project". United States. doi:10.17188/1262261. https://www.osti.gov/servlets/purl/1262261. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1262261,
title = {Materials Data on FeCuO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CuFeO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent O2- atoms to form edge-sharing FeO6 octahedra. All Fe–O bond lengths are 2.05 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.85 Å. O2- is bonded to three equivalent Fe3+ and one Cu1+ atom to form a mixture of distorted corner and edge-sharing OFe3Cu tetrahedra.},
doi = {10.17188/1262261},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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