Materials Data on Tl2CrF6 by Materials Project

doi:10.17188/1707175

Title: Materials Data on Tl2CrF6 by Materials Project

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Abstract

CrTl2F6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr4+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share faces with eight equivalent TlF12 cuboctahedra. All Cr–F bond lengths are 1.90 Å. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with twelve equivalent TlF12 cuboctahedra, faces with six equivalent TlF12 cuboctahedra, and faces with four equivalent CrF6 octahedra. All Tl–F bond lengths are 2.99 Å. F1- is bonded in a single-bond geometry to one Cr4+ and four equivalent Tl1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1208169

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; Tl2CrF6; Cr-F-Tl

OSTI Identifier:: 1707175

DOI:: https://doi.org/10.17188/1707175

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                    The Materials Project. Materials Data on Tl2CrF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707175.

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                    The Materials Project. Materials Data on Tl2CrF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707175

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                    The Materials Project. 2020.  
"Materials Data on Tl2CrF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707175.  https://www.osti.gov/servlets/purl/1707175. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1707175,

  title        = {Materials Data on Tl2CrF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrTl2F6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr4+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share faces with eight equivalent TlF12 cuboctahedra. All Cr–F bond lengths are 1.90 Å. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with twelve equivalent TlF12 cuboctahedra, faces with six equivalent TlF12 cuboctahedra, and faces with four equivalent CrF6 octahedra. All Tl–F bond lengths are 2.99 Å. F1- is bonded in a single-bond geometry to one Cr4+ and four equivalent Tl1+ atoms.},

  doi          = {10.17188/1707175},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707175

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