Materials Data on RbSO3F by Materials Project

doi:10.17188/1655599

Title: Materials Data on RbSO3F by Materials Project

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Abstract

RbSO3F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to seven O2- and three equivalent F1- atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.17 Å. There are one shorter (3.11 Å) and two longer (3.41 Å) Rb–F bond lengths. S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. The S–F bond length is 1.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S6+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1219578

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; RbSO3F; F-O-Rb-S

OSTI Identifier:: 1655599

DOI:: https://doi.org/10.17188/1655599

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                    The Materials Project. Materials Data on RbSO3F by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1655599.

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                    The Materials Project. Materials Data on RbSO3F by Materials Project.  United States.  doi:https://doi.org/10.17188/1655599

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                    The Materials Project. 2019.  
"Materials Data on RbSO3F by Materials Project".  United States.  doi:https://doi.org/10.17188/1655599.  https://www.osti.gov/servlets/purl/1655599. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1655599,

  title        = {Materials Data on RbSO3F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbSO3F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to seven O2- and three equivalent F1- atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.17 Å. There are one shorter (3.11 Å) and two longer (3.41 Å) Rb–F bond lengths. S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. The S–F bond length is 1.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S6+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom.},

  doi          = {10.17188/1655599},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1655599

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