Materials Data on S3N2O3F by Materials Project

doi:10.17188/1676861

Title: Materials Data on S3N2O3F by Materials Project

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Abstract

(NS)2SO3F crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four SO3F clusters. In each SO3F cluster, S+3.33+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.45 Å) and one longer (1.46 Å) S–O bond length. The S–F bond length is 1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. F1- is bonded in a single-bond geometry to one S+3.33+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1219531

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; S3N2O3F; F-N-O-S

OSTI Identifier:: 1676861

DOI:: https://doi.org/10.17188/1676861

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                    The Materials Project. Materials Data on S3N2O3F by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1676861.

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                    The Materials Project. Materials Data on S3N2O3F by Materials Project.  United States.  doi:https://doi.org/10.17188/1676861

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                    The Materials Project. 2019.  
"Materials Data on S3N2O3F by Materials Project".  United States.  doi:https://doi.org/10.17188/1676861.  https://www.osti.gov/servlets/purl/1676861. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1676861,

  title        = {Materials Data on S3N2O3F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(NS)2SO3F crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four SO3F clusters. In each SO3F cluster, S+3.33+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.45 Å) and one longer (1.46 Å) S–O bond length. The S–F bond length is 1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. F1- is bonded in a single-bond geometry to one S+3.33+ atom.},

  doi          = {10.17188/1676861},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1676861

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