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Title: Materials Data on Sr(SO3)2 by Materials Project

Abstract

(SrSO5)2(S)2O2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one hydrogen peroxide molecule; two hydrogen sulfide molecules; and one SrSO5 sheet oriented in the (0, 0, 1) direction. In the SrSO5 sheet, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.96 Å. S5+ is bonded in a water-like geometry to two O2- atoms. Both S–O bond lengths are 1.51 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one O2- atom. The O–O bond length is 1.39 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one S5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one S5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to two O2- atoms. The O–O bond length is 1.35 Å. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one O2- atom.

Authors:
Publication Date:
Other Number(s):
mp-1189291
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; Sr(SO3)2; O-S-Sr
OSTI Identifier:
1688838
DOI:
https://doi.org/10.17188/1688838

Citation Formats

The Materials Project. Materials Data on Sr(SO3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1688838.
The Materials Project. Materials Data on Sr(SO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1688838
The Materials Project. 2019. "Materials Data on Sr(SO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1688838. https://www.osti.gov/servlets/purl/1688838. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1688838,
title = {Materials Data on Sr(SO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(SrSO5)2(S)2O2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one hydrogen peroxide molecule; two hydrogen sulfide molecules; and one SrSO5 sheet oriented in the (0, 0, 1) direction. In the SrSO5 sheet, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.96 Å. S5+ is bonded in a water-like geometry to two O2- atoms. Both S–O bond lengths are 1.51 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one O2- atom. The O–O bond length is 1.39 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one S5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one S5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to two O2- atoms. The O–O bond length is 1.35 Å. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one O2- atom.},
doi = {10.17188/1688838},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}