Materials Data on Sr(SO3)2 by Materials Project

doi:10.17188/1688838

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

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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:: The Materials Project

Publication Date:: 2019-01-11

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

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                    The Materials Project. Materials Data on Sr(SO3)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1688838.

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                    The Materials Project. Materials Data on Sr(SO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1688838

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1688838

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