Materials Data on RbHgF3 by Materials Project

doi:10.17188/1288487

Title: Materials Data on RbHgF3 by Materials Project

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Abstract

RbHgF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-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, and faces with eight equivalent HgF6 octahedra. All Rb–F bond lengths are 3.27 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.31 Å. F1- is bonded to four equivalent Rb1+ and two equivalent Hg2+ atoms to form a mixture of distorted corner, edge, and face-sharing FRb4Hg2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-7482

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; RbHgF3; F-Hg-Rb

OSTI Identifier:: 1288487

DOI:: https://doi.org/10.17188/1288487

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                    The Materials Project. Materials Data on RbHgF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288487.

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                    The Materials Project. Materials Data on RbHgF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288487

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                    The Materials Project. 2020.  
"Materials Data on RbHgF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288487.  https://www.osti.gov/servlets/purl/1288487. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1288487,

  title        = {Materials Data on RbHgF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbHgF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-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, and faces with eight equivalent HgF6 octahedra. All Rb–F bond lengths are 3.27 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.31 Å. F1- is bonded to four equivalent Rb1+ and two equivalent Hg2+ atoms to form a mixture of distorted corner, edge, and face-sharing FRb4Hg2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1288487},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1288487

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