Materials Data on Rb2GaHgCl6 by Materials Project

doi:10.17188/1705878

Title: Materials Data on Rb2GaHgCl6 by Materials Project

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Abstract

Rb2HgGaCl6 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 Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent HgCl6 octahedra, and faces with four equivalent GaCl6 octahedra. All Rb–Cl bond lengths are 3.73 Å. Hg1+ is bonded to six equivalent Cl1- atoms to form HgCl6 octahedra that share corners with six equivalent GaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Cl bond lengths are 2.84 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 octahedra that share corners with six equivalent HgCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Cl bond lengths are 2.43 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Hg1+, and one Ga3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1113320

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; Rb2GaHgCl6; Cl-Ga-Hg-Rb

OSTI Identifier:: 1705878

DOI:: https://doi.org/10.17188/1705878

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                    The Materials Project. Materials Data on Rb2GaHgCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705878.

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                    The Materials Project. Materials Data on Rb2GaHgCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705878

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                    The Materials Project. 2020.  
"Materials Data on Rb2GaHgCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705878.  https://www.osti.gov/servlets/purl/1705878. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1705878,

  title        = {Materials Data on Rb2GaHgCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2HgGaCl6 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 Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent HgCl6 octahedra, and faces with four equivalent GaCl6 octahedra. All Rb–Cl bond lengths are 3.73 Å. Hg1+ is bonded to six equivalent Cl1- atoms to form HgCl6 octahedra that share corners with six equivalent GaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Cl bond lengths are 2.84 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 octahedra that share corners with six equivalent HgCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Cl bond lengths are 2.43 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Hg1+, and one Ga3+ atom.},

  doi          = {10.17188/1705878},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1705878

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