Materials Data on K2HgBiI6 by Materials Project

doi:10.17188/1672466

Title: Materials Data on K2HgBiI6 by Materials Project

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Abstract

(K)2HgBiI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one HgBiI6 framework. In the HgBiI6 framework, Hg1+ is bonded to six equivalent I1- atoms to form HgI6 octahedra that share corners with six equivalent BiI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–I bond lengths are 3.12 Å. Bi3+ is bonded to six equivalent I1- atoms to form BiI6 octahedra that share corners with six equivalent HgI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–I bond lengths are 3.09 Å. I1- is bonded in a linear geometry to one Hg1+ and one Bi3+ atom.

Publication Date:: 2020-04-29

Other Number(s):: mp-1112030

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Bi-Hg-I-K; K2HgBiI6; crystal structure

OSTI Identifier:: 1672466

DOI:: https://doi.org/10.17188/1672466

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                    Materials Data on K2HgBiI6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672466.

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                    Materials Data on K2HgBiI6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672466

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                    2020.  
"Materials Data on K2HgBiI6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672466.  https://www.osti.gov/servlets/purl/1672466. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1672466,

  title        = {Materials Data on K2HgBiI6 by Materials Project},

  
  abstractNote = {(K)2HgBiI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one HgBiI6 framework. In the HgBiI6 framework, Hg1+ is bonded to six equivalent I1- atoms to form HgI6 octahedra that share corners with six equivalent BiI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–I bond lengths are 3.12 Å. Bi3+ is bonded to six equivalent I1- atoms to form BiI6 octahedra that share corners with six equivalent HgI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–I bond lengths are 3.09 Å. I1- is bonded in a linear geometry to one Hg1+ and one Bi3+ atom.},

  doi          = {10.17188/1672466},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1672466

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