Materials Data on Li4CuF7 by Materials Project

doi:10.17188/1291522

Title: Materials Data on Li4CuF7 by Materials Project

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Abstract

Li4CuF7 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with three equivalent CuF6 octahedra and corners with six equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There is one shorter (1.78 Å) and three longer (1.90 Å) Li–F bond length. Cu3+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with twelve equivalent LiF4 tetrahedra. All Cu–F bond lengths are 1.95 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Cu3+ atom. In the second F1- site, F1- is bonded in a tetrahedral geometry to four equivalent Li1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-759877

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; Li4CuF7; Cu-F-Li

OSTI Identifier:: 1291522

DOI:: https://doi.org/10.17188/1291522

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                    The Materials Project. Materials Data on Li4CuF7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291522.

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                    The Materials Project. Materials Data on Li4CuF7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291522

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                    The Materials Project. 2020.  
"Materials Data on Li4CuF7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291522.  https://www.osti.gov/servlets/purl/1291522. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1291522,

  title        = {Materials Data on Li4CuF7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li4CuF7 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with three equivalent CuF6 octahedra and corners with six equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There is one shorter (1.78 Å) and three longer (1.90 Å) Li–F bond length. Cu3+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with twelve equivalent LiF4 tetrahedra. All Cu–F bond lengths are 1.95 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Cu3+ atom. In the second F1- site, F1- is bonded in a tetrahedral geometry to four equivalent Li1+ atoms.},

  doi          = {10.17188/1291522},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1291522

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