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Title: Materials Data on Fe2Co3O10 by Materials Project

Abstract

Fe2Co3O10 is trigonal omega-derived structured and crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one Fe2Co3O10 sheet oriented in the (-1, 0, 2) direction. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four CoO6 octahedra. All Fe–O bond lengths are 1.97 Å. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share edges with two equivalent CoO6 octahedra and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.91–1.98 Å. In the third Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.98–2.05 Å. In the fourth Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share edges with two equivalent CoO6 octahedra and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.90–1.97 Å. There are six inequivalent Co sites. In the first Co site, Co is bondedmore » to six O atoms to form edge-sharing CoO6 octahedra. There is two shorter (1.89 Å) and four longer (1.91 Å) Co–O bond length. In the second Co site, Co is bonded to six O atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–1.91 Å. In the third Co site, Co is bonded to six O atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.89–1.91 Å. In the fourth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.87–1.91 Å. In the fifth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two equivalent CoO6 octahedra and edges with four FeO6 octahedra. There are a spread of Co–O bond distances ranging from 1.85–1.90 Å. In the sixth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–1.91 Å. There are twenty inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Fe and two equivalent Co atoms. In the ninth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the tenth O site, O is bonded in a distorted T-shaped geometry to two equivalent Fe and one Co atom. In the eleventh O site, O is bonded in a distorted T-shaped geometry to two equivalent Fe and one Co atom. In the twelfth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Fe and two equivalent Co atoms. In the thirteenth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Fe and two equivalent Co atoms. In the fourteenth O site, O is bonded in a distorted T-shaped geometry to two equivalent Fe and one Co atom. In the fifteenth O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the sixteenth O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the seventeenth O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the eighteenth O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the nineteenth O site, O is bonded in a distorted T-shaped geometry to two equivalent Fe and one Co atom. In the twentieth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Fe and two equivalent Co atoms.« less

Publication Date:
Other Number(s):
mp-778217
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; Fe2Co3O10; Co-Fe-O
OSTI Identifier:
1305469
DOI:
10.17188/1305469

Citation Formats

The Materials Project. Materials Data on Fe2Co3O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305469.
The Materials Project. Materials Data on Fe2Co3O10 by Materials Project. United States. doi:10.17188/1305469.
The Materials Project. 2020. "Materials Data on Fe2Co3O10 by Materials Project". United States. doi:10.17188/1305469. https://www.osti.gov/servlets/purl/1305469. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1305469,
title = {Materials Data on Fe2Co3O10 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2Co3O10 is trigonal omega-derived structured and crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one Fe2Co3O10 sheet oriented in the (-1, 0, 2) direction. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four CoO6 octahedra. All Fe–O bond lengths are 1.97 Å. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share edges with two equivalent CoO6 octahedra and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.91–1.98 Å. In the third Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.98–2.05 Å. In the fourth Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share edges with two equivalent CoO6 octahedra and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.90–1.97 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded to six O atoms to form edge-sharing CoO6 octahedra. There is two shorter (1.89 Å) and four longer (1.91 Å) Co–O bond length. In the second Co site, Co is bonded to six O atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–1.91 Å. In the third Co site, Co is bonded to six O atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.89–1.91 Å. In the fourth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.87–1.91 Å. In the fifth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two equivalent CoO6 octahedra and edges with four FeO6 octahedra. There are a spread of Co–O bond distances ranging from 1.85–1.90 Å. In the sixth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–1.91 Å. There are twenty inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Fe and two equivalent Co atoms. In the ninth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the tenth O site, O is bonded in a distorted T-shaped geometry to two equivalent Fe and one Co atom. In the eleventh O site, O is bonded in a distorted T-shaped geometry to two equivalent Fe and one Co atom. In the twelfth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Fe and two equivalent Co atoms. In the thirteenth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Fe and two equivalent Co atoms. In the fourteenth O site, O is bonded in a distorted T-shaped geometry to two equivalent Fe and one Co atom. In the fifteenth O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the sixteenth O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the seventeenth O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the eighteenth O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the nineteenth O site, O is bonded in a distorted T-shaped geometry to two equivalent Fe and one Co atom. In the twentieth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Fe and two equivalent Co atoms.},
doi = {10.17188/1305469},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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