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Title: Materials Data on FeSO4 by Materials Project

Abstract

FeSO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent SO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are two shorter (2.06 Å) and four longer (2.24 Å) Fe–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–52°. There is two shorter (1.47 Å) and two longer (1.51 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe2+ and one S6+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-19112
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; FeSO4; Fe-O-S
OSTI Identifier:
1193934
DOI:
10.17188/1193934

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on FeSO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193934.
Persson, Kristin, & Project, Materials. Materials Data on FeSO4 by Materials Project. United States. doi:10.17188/1193934.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on FeSO4 by Materials Project". United States. doi:10.17188/1193934. https://www.osti.gov/servlets/purl/1193934. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1193934,
title = {Materials Data on FeSO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {FeSO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent SO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are two shorter (2.06 Å) and four longer (2.24 Å) Fe–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–52°. There is two shorter (1.47 Å) and two longer (1.51 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe2+ and one S6+ atom.},
doi = {10.17188/1193934},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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