Materials Data on Cs2CrF6 by Materials Project

doi:10.17188/1269788

Title: Materials Data on Cs2CrF6 by Materials Project

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Abstract

Cs2CrF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form distorted CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent CrF6 octahedra. All Cs–F bond lengths are 3.27 Å. Cr4+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Cr–F bond lengths are 1.87 Å. F1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Cr4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-557324

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; Cs2CrF6; Cr-Cs-F

OSTI Identifier:: 1269788

DOI:: https://doi.org/10.17188/1269788

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                    The Materials Project. Materials Data on Cs2CrF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269788.

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                    The Materials Project. Materials Data on Cs2CrF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269788

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                    The Materials Project. 2020.  
"Materials Data on Cs2CrF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269788.  https://www.osti.gov/servlets/purl/1269788. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1269788,

  title        = {Materials Data on Cs2CrF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2CrF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form distorted CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent CrF6 octahedra. All Cs–F bond lengths are 3.27 Å. Cr4+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Cr–F bond lengths are 1.87 Å. F1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Cr4+ atom.},

  doi          = {10.17188/1269788},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269788

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