Materials Data on K2TaCl6 by Materials Project

doi:10.17188/1205610

Title: Materials Data on K2TaCl6 by Materials Project

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Abstract

K2TaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with four equivalent TaCl6 octahedra. All K–Cl bond lengths are 3.58 Å. Ta4+ is bonded to six equivalent Cl1- atoms to form TaCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All Ta–Cl bond lengths are 2.42 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Ta4+ atom.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-31363

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; K2TaCl6; Cl-K-Ta

OSTI Identifier:: 1205610

DOI:: https://doi.org/10.17188/1205610

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                    The Materials Project. Materials Data on K2TaCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205610.

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                    The Materials Project. Materials Data on K2TaCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205610

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                    The Materials Project. 2020.  
"Materials Data on K2TaCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205610.  https://www.osti.gov/servlets/purl/1205610. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1205610,

  title        = {Materials Data on K2TaCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2TaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with four equivalent TaCl6 octahedra. All K–Cl bond lengths are 3.58 Å. Ta4+ is bonded to six equivalent Cl1- atoms to form TaCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All Ta–Cl bond lengths are 2.42 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Ta4+ atom.},

  doi          = {10.17188/1205610},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205610

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