Materials Data on Na2ScHgF6 by Materials Project

doi:10.17188/1662494

Title: Materials Data on Na2ScHgF6 by Materials Project

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Abstract

(Na)2ScHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one ScHgF6 framework. In the ScHgF6 framework, Sc2+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent HgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.02 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.50 Å. F1- is bonded in a linear geometry to one Sc2+ and one Hg2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1111062

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; Na2ScHgF6; F-Hg-Na-Sc

OSTI Identifier:: 1662494

DOI:: https://doi.org/10.17188/1662494

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                    The Materials Project. Materials Data on Na2ScHgF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662494.

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                    The Materials Project. Materials Data on Na2ScHgF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662494

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                    The Materials Project. 2020.  
"Materials Data on Na2ScHgF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662494.  https://www.osti.gov/servlets/purl/1662494. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1662494,

  title        = {Materials Data on Na2ScHgF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Na)2ScHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one ScHgF6 framework. In the ScHgF6 framework, Sc2+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent HgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.02 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.50 Å. F1- is bonded in a linear geometry to one Sc2+ and one Hg2+ atom.},

  doi          = {10.17188/1662494},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1662494

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