Materials Data on K2ScInI6 by Materials Project

doi:10.17188/1654125

Title: Materials Data on K2ScInI6 by Materials Project

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Abstract

(K)2ScInI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one ScInI6 framework. In the ScInI6 framework, Sc3+ is bonded to six equivalent I1- atoms to form ScI6 octahedra that share corners with six equivalent InI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–I bond lengths are 2.90 Å. In1+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent ScI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 3.31 Å. I1- is bonded in a linear geometry to one Sc3+ and one In1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1112016

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; K2ScInI6; I-In-K-Sc

OSTI Identifier:: 1654125

DOI:: https://doi.org/10.17188/1654125

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                    The Materials Project. Materials Data on K2ScInI6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1654125.

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                    The Materials Project. Materials Data on K2ScInI6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654125

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                    The Materials Project. 2020.  
"Materials Data on K2ScInI6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654125.  https://www.osti.gov/servlets/purl/1654125. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1654125,

  title        = {Materials Data on K2ScInI6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(K)2ScInI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one ScInI6 framework. In the ScInI6 framework, Sc3+ is bonded to six equivalent I1- atoms to form ScI6 octahedra that share corners with six equivalent InI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–I bond lengths are 2.90 Å. In1+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent ScI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 3.31 Å. I1- is bonded in a linear geometry to one Sc3+ and one In1+ atom.},

  doi          = {10.17188/1654125},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1654125

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