Materials Data on RbAgF3 by Materials Project

doi:10.17188/1304385

Title: Materials Data on RbAgF3 by Materials Project

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Abstract

RbAgF3 is (Cubic) Perovskite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Rb1+ is bonded to twelve F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with eight equivalent AgF6 octahedra. There are eight shorter (3.13 Å) and four longer (3.16 Å) Rb–F bond lengths. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent AgF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ag–F bond distances ranging from 2.17–2.30 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Ag2+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-7767

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; RbAgF3; Ag-F-Rb

OSTI Identifier:: 1304385

DOI:: https://doi.org/10.17188/1304385

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                    The Materials Project. Materials Data on RbAgF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1304385.

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                    The Materials Project. Materials Data on RbAgF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1304385

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                    The Materials Project. 2020.  
"Materials Data on RbAgF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1304385.  https://www.osti.gov/servlets/purl/1304385. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1304385,

  title        = {Materials Data on RbAgF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbAgF3 is (Cubic) Perovskite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Rb1+ is bonded to twelve F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with eight equivalent AgF6 octahedra. There are eight shorter (3.13 Å) and four longer (3.16 Å) Rb–F bond lengths. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent AgF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ag–F bond distances ranging from 2.17–2.30 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Ag2+ atoms.},

  doi          = {10.17188/1304385},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1304385

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