Materials Data on S(IO3)2 by Materials Project

doi:10.17188/1205320

Title: Materials Data on S(IO3)2 by Materials Project

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Abstract

S(O3I)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two S(O3I)2 sheets oriented in the (0, 0, 1) direction. S2+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.51 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one S2+ and one I5+ atom. The O–I bond length is 2.46 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one S2+ and one I5+ atom. The O–I bond length is 2.38 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent I5+ atoms. There are one shorter (2.00 Å) and one longer (2.01 Å) O–I bond lengths. I5+ is bonded in a square co-planar geometry to four O2- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-30984

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; S(IO3)2; I-O-S

OSTI Identifier:: 1205320

DOI:: https://doi.org/10.17188/1205320

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                    The Materials Project. Materials Data on S(IO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205320.

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                    The Materials Project. Materials Data on S(IO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205320

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                    The Materials Project. 2020.  
"Materials Data on S(IO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205320.  https://www.osti.gov/servlets/purl/1205320. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1205320,

  title        = {Materials Data on S(IO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {S(O3I)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two S(O3I)2 sheets oriented in the (0, 0, 1) direction. S2+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.51 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one S2+ and one I5+ atom. The O–I bond length is 2.46 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one S2+ and one I5+ atom. The O–I bond length is 2.38 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent I5+ atoms. There are one shorter (2.00 Å) and one longer (2.01 Å) O–I bond lengths. I5+ is bonded in a square co-planar geometry to four O2- atoms.},

  doi          = {10.17188/1205320},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205320

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