Materials Data on Rb2InHgF6 by Materials Project

doi:10.17188/1727155

Title: Materials Data on Rb2InHgF6 by Materials Project

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Abstract

Rb2HgInF6 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 HgF6 octahedra, and faces with four equivalent InF6 octahedra. All Rb–F bond lengths are 3.30 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.55 Å. In2+ is bonded to six equivalent F1- atoms to form InF6 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 In–F bond lengths are 2.12 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Hg2+, and one In2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1112225

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; Rb2InHgF6; F-Hg-In-Rb

OSTI Identifier:: 1727155

DOI:: https://doi.org/10.17188/1727155

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                    The Materials Project. Materials Data on Rb2InHgF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1727155.

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                    The Materials Project. Materials Data on Rb2InHgF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727155

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                    The Materials Project. 2020.  
"Materials Data on Rb2InHgF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727155.  https://www.osti.gov/servlets/purl/1727155. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1727155,

  title        = {Materials Data on Rb2InHgF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2HgInF6 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 HgF6 octahedra, and faces with four equivalent InF6 octahedra. All Rb–F bond lengths are 3.30 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.55 Å. In2+ is bonded to six equivalent F1- atoms to form InF6 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 In–F bond lengths are 2.12 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Hg2+, and one In2+ atom.},

  doi          = {10.17188/1727155},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1727155

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