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Title: Materials Data on FeS2O9 by Materials Project

Abstract

(Fe(SO4)2)2O2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one water molecule and one Fe(SO4)2 sheet oriented in the (0, 0, 1) direction. In the Fe(SO4)2 sheet, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Fe–O bond lengths are 2.01 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There is one shorter (1.47 Å) and three longer (1.49 Å) S–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Fe and one S atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Fe and one S atom. In the third O site, O is bonded in a 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.

Publication Date:
Other Number(s):
mp-1102979
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; FeS2O9; Fe-O-S
OSTI Identifier:
1681415
DOI:
https://doi.org/10.17188/1681415

Citation Formats

The Materials Project. Materials Data on FeS2O9 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1681415.
The Materials Project. Materials Data on FeS2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1681415
The Materials Project. 2018. "Materials Data on FeS2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1681415. https://www.osti.gov/servlets/purl/1681415. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1681415,
title = {Materials Data on FeS2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {(Fe(SO4)2)2O2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one water molecule and one Fe(SO4)2 sheet oriented in the (0, 0, 1) direction. In the Fe(SO4)2 sheet, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Fe–O bond lengths are 2.01 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There is one shorter (1.47 Å) and three longer (1.49 Å) S–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Fe and one S atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Fe and one S atom. In the third O site, O is bonded in a 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.},
doi = {10.17188/1681415},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}