Materials Data on Rb2GaCuF6 by Materials Project

doi:10.17188/1749575

Title: Materials Data on Rb2GaCuF6 by Materials Project

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Abstract

Rb2CuGaF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent CuF6 octahedra, and faces with four equivalent GaF6 octahedra. All Rb–F bond lengths are 3.01 Å. Cu1+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.30 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent CuF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.95 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Cu1+, and one Ga3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1111036

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; Rb2GaCuF6; Cu-F-Ga-Rb

OSTI Identifier:: 1749575

DOI:: https://doi.org/10.17188/1749575

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                    The Materials Project. Materials Data on Rb2GaCuF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749575.

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                    The Materials Project. Materials Data on Rb2GaCuF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749575

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                    The Materials Project. 2020.  
"Materials Data on Rb2GaCuF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749575.  https://www.osti.gov/servlets/purl/1749575. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1749575,

  title        = {Materials Data on Rb2GaCuF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2CuGaF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent CuF6 octahedra, and faces with four equivalent GaF6 octahedra. All Rb–F bond lengths are 3.01 Å. Cu1+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.30 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent CuF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.95 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Cu1+, and one Ga3+ atom.},

  doi          = {10.17188/1749575},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749575

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