Materials Data on Rb2HgAsF6 by Materials Project

doi:10.17188/1740080

Title: Materials Data on Rb2HgAsF6 by Materials Project

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Abstract

Rb2HgAsF6 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 HgF6 octahedra, and faces with four equivalent AsF6 octahedra. All Rb–F bond lengths are 3.35 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent AsF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.72 Å. As2+ is bonded to six equivalent F1- atoms to form AsF6 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 As–F bond lengths are 1.99 Å. F1- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one Hg2+, and one As2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1112408

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; Rb2HgAsF6; As-F-Hg-Rb

OSTI Identifier:: 1740080

DOI:: https://doi.org/10.17188/1740080

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                    The Materials Project. Materials Data on Rb2HgAsF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740080.

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                    The Materials Project. Materials Data on Rb2HgAsF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740080

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                    The Materials Project. 2020.  
"Materials Data on Rb2HgAsF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740080.  https://www.osti.gov/servlets/purl/1740080. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740080,

  title        = {Materials Data on Rb2HgAsF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2HgAsF6 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 HgF6 octahedra, and faces with four equivalent AsF6 octahedra. All Rb–F bond lengths are 3.35 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent AsF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.72 Å. As2+ is bonded to six equivalent F1- atoms to form AsF6 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 As–F bond lengths are 1.99 Å. F1- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one Hg2+, and one As2+ atom.},

  doi          = {10.17188/1740080},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740080

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