Materials Data on K2YHgI6 by Materials Project

doi:10.17188/1733420

Title: Materials Data on K2YHgI6 by Materials Project

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Abstract

(K)2YHgI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one YHgI6 framework. In the YHgI6 framework, Y3+ is bonded to six equivalent I1- atoms to form YI6 octahedra that share corners with six equivalent HgI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–I bond lengths are 3.02 Å. Hg1+ is bonded to six equivalent I1- atoms to form HgI6 octahedra that share corners with six equivalent YI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–I bond lengths are 3.20 Å. I1- is bonded in a linear geometry to one Y3+ and one Hg1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1112022

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; K2YHgI6; Hg-I-K-Y

OSTI Identifier:: 1733420

DOI:: https://doi.org/10.17188/1733420

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                    The Materials Project. Materials Data on K2YHgI6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733420.

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                    The Materials Project. Materials Data on K2YHgI6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733420

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                    The Materials Project. 2020.  
"Materials Data on K2YHgI6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733420.  https://www.osti.gov/servlets/purl/1733420. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1733420,

  title        = {Materials Data on K2YHgI6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(K)2YHgI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one YHgI6 framework. In the YHgI6 framework, Y3+ is bonded to six equivalent I1- atoms to form YI6 octahedra that share corners with six equivalent HgI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–I bond lengths are 3.02 Å. Hg1+ is bonded to six equivalent I1- atoms to form HgI6 octahedra that share corners with six equivalent YI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–I bond lengths are 3.20 Å. I1- is bonded in a linear geometry to one Y3+ and one Hg1+ atom.},

  doi          = {10.17188/1733420},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1733420

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