Materials Data on HS2IO8 by Materials Project

doi:10.17188/1296143

Title: Materials Data on HS2IO8 by Materials Project

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Abstract

HS2O8I crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two HS2O8I sheets oriented in the (1, 0, 0) direction. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.69 Å) H–O bond length. There are two inequivalent S5+ sites. In the first S5+ site, S5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.62 Å. In the second S5+ site, S5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.42–1.61 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one S5+ and one I5+ atom. The O–I bond length is 2.36 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one S5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one S5+ and one I5+ atom. The O–I bond length is 2.02 Å. In the fourth O2- site, O2- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-765597

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; HS2IO8; H-I-O-S

OSTI Identifier:: 1296143

DOI:: https://doi.org/10.17188/1296143

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                    The Materials Project. Materials Data on HS2IO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1296143.

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                    The Materials Project. Materials Data on HS2IO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1296143

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                    The Materials Project. 2020.  
"Materials Data on HS2IO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1296143.  https://www.osti.gov/servlets/purl/1296143. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1296143,

  title        = {Materials Data on HS2IO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HS2O8I crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two HS2O8I sheets oriented in the (1, 0, 0) direction. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.69 Å) H–O bond length. There are two inequivalent S5+ sites. In the first S5+ site, S5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.62 Å. In the second S5+ site, S5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.42–1.61 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one S5+ and one I5+ atom. The O–I bond length is 2.36 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one S5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one S5+ and one I5+ atom. The O–I bond length is 2.02 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one S5+ and one I5+ atom. The O–I bond length is 2.44 Å. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one S5+ and one I5+ atom. The O–I bond length is 2.04 Å. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one S5+ atom. I5+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms.},

  doi          = {10.17188/1296143},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1296143

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