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Title: Materials Data on FeSeO5 by Materials Project

Abstract

FeSeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.69–2.08 Å. Se is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.70–1.82 Å. There are five inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Fe and one Se atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Fe and one Se atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Fe and one Se atom. In the fourth O site, O is bonded in a single-bond geometry to one Fe atom. In the fifth O site, O is bonded in a single-bond geometry to one Fe atom.

Publication Date:
Other Number(s):
mp-1194306
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; FeSeO5; Fe-O-Se
OSTI Identifier:
1707551
DOI:
https://doi.org/10.17188/1707551

Citation Formats

The Materials Project. Materials Data on FeSeO5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707551.
The Materials Project. Materials Data on FeSeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1707551
The Materials Project. 2019. "Materials Data on FeSeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1707551. https://www.osti.gov/servlets/purl/1707551. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1707551,
title = {Materials Data on FeSeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {FeSeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.69–2.08 Å. Se is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.70–1.82 Å. There are five inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Fe and one Se atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Fe and one Se atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Fe and one Se atom. In the fourth O site, O is bonded in a single-bond geometry to one Fe atom. In the fifth O site, O is bonded in a single-bond geometry to one Fe atom.},
doi = {10.17188/1707551},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}