Materials Data on SClO2F by Materials Project

doi:10.17188/1267691

Title: Materials Data on SClO2F by Materials Project

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Abstract

SO2ClF crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of eight sulfuryl chloride fluoride molecules. S6+ is bonded in a distorted tetrahedral geometry to two O2-, one Cl1-, and one F1- atom. There is one shorter (1.42 Å) and one longer (1.43 Å) S–O bond length. The S–Cl bond length is 2.00 Å. The S–F bond length is 1.59 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. Cl1- is bonded in a single-bond geometry to one S6+ atom. F1- is bonded in a single-bond geometry to one S6+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-554012

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; SClO2F; Cl-F-O-S

OSTI Identifier:: 1267691

DOI:: https://doi.org/10.17188/1267691

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                    The Materials Project. Materials Data on SClO2F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267691.

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                    The Materials Project. Materials Data on SClO2F by Materials Project.  United States.  doi:https://doi.org/10.17188/1267691

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                    The Materials Project. 2020.  
"Materials Data on SClO2F by Materials Project".  United States.  doi:https://doi.org/10.17188/1267691.  https://www.osti.gov/servlets/purl/1267691. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1267691,

  title        = {Materials Data on SClO2F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SO2ClF crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of eight sulfuryl chloride fluoride molecules. S6+ is bonded in a distorted tetrahedral geometry to two O2-, one Cl1-, and one F1- atom. There is one shorter (1.42 Å) and one longer (1.43 Å) S–O bond length. The S–Cl bond length is 2.00 Å. The S–F bond length is 1.59 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. Cl1- is bonded in a single-bond geometry to one S6+ atom. F1- is bonded in a single-bond geometry to one S6+ atom.},

  doi          = {10.17188/1267691},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1267691

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