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Title: Materials Data on FeSO8 by Materials Project

Abstract

FeSO6O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four oxygen molecules and four FeSO6 clusters. In each FeSO6 cluster, Fe is bonded in a distorted trigonal planar geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.62–2.55 Å. S is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.43 Å) and one longer (1.44 Å) S–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Fe atom. In the second O site, O is bonded in a single-bond geometry to one Fe atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Fe and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a single-bond geometry to one S atom. In the sixth O site, O is bonded in a single-bond geometry to one Fe atom.

Publication Date:
Other Number(s):
mp-1181718
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; FeSO8; Fe-O-S
OSTI Identifier:
1676730
DOI:
https://doi.org/10.17188/1676730

Citation Formats

The Materials Project. Materials Data on FeSO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676730.
The Materials Project. Materials Data on FeSO8 by Materials Project. United States. doi:https://doi.org/10.17188/1676730
The Materials Project. 2020. "Materials Data on FeSO8 by Materials Project". United States. doi:https://doi.org/10.17188/1676730. https://www.osti.gov/servlets/purl/1676730. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1676730,
title = {Materials Data on FeSO8 by Materials Project},
author = {The Materials Project},
abstractNote = {FeSO6O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four oxygen molecules and four FeSO6 clusters. In each FeSO6 cluster, Fe is bonded in a distorted trigonal planar geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.62–2.55 Å. S is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.43 Å) and one longer (1.44 Å) S–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Fe atom. In the second O site, O is bonded in a single-bond geometry to one Fe atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Fe and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a single-bond geometry to one S atom. In the sixth O site, O is bonded in a single-bond geometry to one Fe atom.},
doi = {10.17188/1676730},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}