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Title: Materials Data on Fe2O5 by Materials Project

Abstract

Fe2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Fe–O bond distances ranging from 1.80–1.92 Å. In the second Fe site, Fe is bonded to six O atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Fe–O bond distances ranging from 1.91–2.06 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three Fe atoms. In the second O site, O is bonded in a trigonal planar geometry to three Fe atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two Fe atoms. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to two Fe atoms. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to two Fe atoms.

Authors:
Publication Date:
Other Number(s):
mp-1147691
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; Fe2O5; Fe-O
OSTI Identifier:
1715019
DOI:
https://doi.org/10.17188/1715019

Citation Formats

The Materials Project. Materials Data on Fe2O5 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1715019.
The Materials Project. Materials Data on Fe2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1715019
The Materials Project. 2018. "Materials Data on Fe2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1715019. https://www.osti.gov/servlets/purl/1715019. Pub date:Thu Dec 27 00:00:00 EST 2018
@article{osti_1715019,
title = {Materials Data on Fe2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Fe–O bond distances ranging from 1.80–1.92 Å. In the second Fe site, Fe is bonded to six O atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Fe–O bond distances ranging from 1.91–2.06 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three Fe atoms. In the second O site, O is bonded in a trigonal planar geometry to three Fe atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two Fe atoms. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to two Fe atoms. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to two Fe atoms.},
doi = {10.17188/1715019},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {12}
}