Materials Data on Cs2TaCl6 by Materials Project

doi:10.17188/1275317

Title: Materials Data on Cs2TaCl6 by Materials Project

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Abstract

Cs2TaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent TaCl6 octahedra. All Cs–Cl bond lengths are 3.79 Å. Ta4+ is bonded to six equivalent Cl1- atoms to form TaCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Ta–Cl bond lengths are 2.43 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Ta4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-569885

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; Cs2TaCl6; Cl-Cs-Ta

OSTI Identifier:: 1275317

DOI:: https://doi.org/10.17188/1275317

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                    The Materials Project. Materials Data on Cs2TaCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275317.

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                    The Materials Project. Materials Data on Cs2TaCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275317

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                    The Materials Project. 2020.  
"Materials Data on Cs2TaCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275317.  https://www.osti.gov/servlets/purl/1275317. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1275317,

  title        = {Materials Data on Cs2TaCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2TaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent TaCl6 octahedra. All Cs–Cl bond lengths are 3.79 Å. Ta4+ is bonded to six equivalent Cl1- atoms to form TaCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Ta–Cl bond lengths are 2.43 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Ta4+ atom.},

  doi          = {10.17188/1275317},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275317

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