Materials Data on CsXeF7 by Materials Project

doi:10.17188/1203983

Title: Materials Data on CsXeF7 by Materials Project

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Abstract

XeCsF7 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Xe is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Xe–F bond distances ranging from 2.06–2.14 Å. Cs is bonded in a 9-coordinate geometry to fifteen F atoms. There are a spread of Cs–F bond distances ranging from 3.19–3.59 Å. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one Xe and two equivalent Cs atoms. In the second F site, F is bonded in a distorted single-bond geometry to one Xe and two equivalent Cs atoms. In the third F site, F is bonded in a distorted single-bond geometry to one Xe and three equivalent Cs atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-29513

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cs-F-Xe; CsXeF7; crystal structure

OSTI Identifier:: 1203983

DOI:: https://doi.org/10.17188/1203983

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                    Materials Data on CsXeF7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203983.

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                    Materials Data on CsXeF7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203983

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                    2020.  
"Materials Data on CsXeF7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203983.  https://www.osti.gov/servlets/purl/1203983. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1203983,

  title        = {Materials Data on CsXeF7 by Materials Project},

  
  abstractNote = {XeCsF7 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Xe is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Xe–F bond distances ranging from 2.06–2.14 Å. Cs is bonded in a 9-coordinate geometry to fifteen F atoms. There are a spread of Cs–F bond distances ranging from 3.19–3.59 Å. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one Xe and two equivalent Cs atoms. In the second F site, F is bonded in a distorted single-bond geometry to one Xe and two equivalent Cs atoms. In the third F site, F is bonded in a distorted single-bond geometry to one Xe and three equivalent Cs atoms.},

  doi          = {10.17188/1203983},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1203983

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