Materials Data on Rb2HgAuF6 by Materials Project

doi:10.17188/1676711

Title: Materials Data on Rb2HgAuF6 by Materials Project

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Abstract

Rb2AuHgF6 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 AuF6 octahedra, and faces with four equivalent HgF6 octahedra. All Rb–F bond lengths are 3.24 Å. Au2+ is bonded to six equivalent F1- atoms to form AuF6 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 Au–F bond lengths are 2.27 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent AuF6 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+, one Au2+, and one Hg2+ atom to form a mixture of distorted edge, face, and corner-sharing FRb4HgAu octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-1113476

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; Rb2HgAuF6; Au-F-Hg-Rb

OSTI Identifier:: 1676711

DOI:: https://doi.org/10.17188/1676711

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                    The Materials Project. Materials Data on Rb2HgAuF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676711.

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                    The Materials Project. Materials Data on Rb2HgAuF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676711

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                    The Materials Project. 2020.  
"Materials Data on Rb2HgAuF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676711.  https://www.osti.gov/servlets/purl/1676711. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1676711,

  title        = {Materials Data on Rb2HgAuF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2AuHgF6 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 AuF6 octahedra, and faces with four equivalent HgF6 octahedra. All Rb–F bond lengths are 3.24 Å. Au2+ is bonded to six equivalent F1- atoms to form AuF6 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 Au–F bond lengths are 2.27 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent AuF6 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+, one Au2+, and one Hg2+ atom to form a mixture of distorted edge, face, and corner-sharing FRb4HgAu octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1676711},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1676711

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