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Title: Materials Data on Fe(CoO3)2 by Materials Project

Abstract

Fe(CoO3)2 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Fe(CoO3)2 sheet oriented in the (2, 0, -1) direction. Fe is bonded to six O atoms to form FeO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four equivalent CoO6 octahedra. There is four shorter (1.96 Å) and two longer (2.01 Å) Fe–O bond length. Co is bonded to six O atoms to form CoO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four equivalent CoO6 octahedra. There is one shorter (1.88 Å) and five longer (1.90 Å) Co–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to one Fe and two equivalent Co atoms. In the second O site, O is bonded in a distorted T-shaped geometry to two equivalent Fe and one Co atom. In the third O site, O is bonded in a distorted T-shaped geometry to three equivalent Co atoms.

Authors:
Publication Date:
Other Number(s):
mp-761530
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; Fe(CoO3)2; Co-Fe-O
OSTI Identifier:
1292057
DOI:
https://doi.org/10.17188/1292057

Citation Formats

The Materials Project. Materials Data on Fe(CoO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1292057.
The Materials Project. Materials Data on Fe(CoO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1292057
The Materials Project. 2020. "Materials Data on Fe(CoO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1292057. https://www.osti.gov/servlets/purl/1292057. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1292057,
title = {Materials Data on Fe(CoO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe(CoO3)2 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Fe(CoO3)2 sheet oriented in the (2, 0, -1) direction. Fe is bonded to six O atoms to form FeO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four equivalent CoO6 octahedra. There is four shorter (1.96 Å) and two longer (2.01 Å) Fe–O bond length. Co is bonded to six O atoms to form CoO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four equivalent CoO6 octahedra. There is one shorter (1.88 Å) and five longer (1.90 Å) Co–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to one Fe and two equivalent Co atoms. In the second O site, O is bonded in a distorted T-shaped geometry to two equivalent Fe and one Co atom. In the third O site, O is bonded in a distorted T-shaped geometry to three equivalent Co atoms.},
doi = {10.17188/1292057},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}