Materials Data on RbBiF3 by Materials Project

doi:10.17188/1749518

Title: Materials Data on RbBiF3 by Materials Project

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Abstract

RbBiF3 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one RbBiF3 sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 4-coordinate geometry to four equivalent F1- atoms. All Rb–F bond lengths are 2.81 Å. Bi2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are four shorter (2.42 Å) and four longer (2.62 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent Bi2+ atoms to form a mixture of distorted edge and corner-sharing FRb2Bi2 tetrahedra. In the second F1- site, F1- is bonded to four equivalent Bi2+ atoms to form a mixture of edge and corner-sharing FBi4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1173046

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; RbBiF3; Bi-F-Rb

OSTI Identifier:: 1749518

DOI:: https://doi.org/10.17188/1749518

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                    The Materials Project. Materials Data on RbBiF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749518.

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                    The Materials Project. Materials Data on RbBiF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749518

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                    The Materials Project. 2020.  
"Materials Data on RbBiF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749518.  https://www.osti.gov/servlets/purl/1749518. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1749518,

  title        = {Materials Data on RbBiF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbBiF3 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one RbBiF3 sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 4-coordinate geometry to four equivalent F1- atoms. All Rb–F bond lengths are 2.81 Å. Bi2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are four shorter (2.42 Å) and four longer (2.62 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent Bi2+ atoms to form a mixture of distorted edge and corner-sharing FRb2Bi2 tetrahedra. In the second F1- site, F1- is bonded to four equivalent Bi2+ atoms to form a mixture of edge and corner-sharing FBi4 tetrahedra.},

  doi          = {10.17188/1749518},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749518

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