Materials Data on CsSO3F by Materials Project

doi:10.17188/1278103

Title: Materials Data on CsSO3F by Materials Project

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Abstract

CsSO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to eight O2- and one F1- atom. There are a spread of Cs–O bond distances ranging from 3.22–3.42 Å. The Cs–F bond length is 3.27 Å. S6+ 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 1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom. F1- is bonded in a single-bond geometry to one Cs1+ and one S6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-622195

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; CsSO3F; Cs-F-O-S

OSTI Identifier:: 1278103

DOI:: https://doi.org/10.17188/1278103

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                    The Materials Project. Materials Data on CsSO3F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278103.

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                    The Materials Project. Materials Data on CsSO3F by Materials Project.  United States.  doi:https://doi.org/10.17188/1278103

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                    The Materials Project. 2020.  
"Materials Data on CsSO3F by Materials Project".  United States.  doi:https://doi.org/10.17188/1278103.  https://www.osti.gov/servlets/purl/1278103. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1278103,

  title        = {Materials Data on CsSO3F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsSO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to eight O2- and one F1- atom. There are a spread of Cs–O bond distances ranging from 3.22–3.42 Å. The Cs–F bond length is 3.27 Å. S6+ 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 1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom. F1- is bonded in a single-bond geometry to one Cs1+ and one S6+ atom.},

  doi          = {10.17188/1278103},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1278103

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