Materials Data on K2InSbCl6 by Materials Project

doi:10.17188/1688286

Title: Materials Data on K2InSbCl6 by Materials Project

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Abstract

K2InSbCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form distorted KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent InCl6 octahedra, and faces with four equivalent SbCl6 octahedra. All K–Cl bond lengths are 3.97 Å. In1+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent SbCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.94 Å. Sb3+ is bonded to six equivalent Cl1- atoms to form SbCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Cl bond lengths are 2.67 Å. Cl1- is bonded in a linear geometry to four equivalent K1+, one In1+, and one Sb3+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1112017

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; K2InSbCl6; Cl-In-K-Sb

OSTI Identifier:: 1688286

DOI:: https://doi.org/10.17188/1688286

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                    The Materials Project. Materials Data on K2InSbCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1688286.

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                    The Materials Project. Materials Data on K2InSbCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1688286

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                    The Materials Project. 2020.  
"Materials Data on K2InSbCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1688286.  https://www.osti.gov/servlets/purl/1688286. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1688286,

  title        = {Materials Data on K2InSbCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2InSbCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form distorted KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent InCl6 octahedra, and faces with four equivalent SbCl6 octahedra. All K–Cl bond lengths are 3.97 Å. In1+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent SbCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.94 Å. Sb3+ is bonded to six equivalent Cl1- atoms to form SbCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Cl bond lengths are 2.67 Å. Cl1- is bonded in a linear geometry to four equivalent K1+, one In1+, and one Sb3+ atom.},

  doi          = {10.17188/1688286},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1688286

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