Materials Data on Cs2TeBr6 by Materials Project

doi:10.17188/1199484

Title: Materials Data on Cs2TeBr6 by Materials Project

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Abstract

Cs2TeBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with four equivalent TeBr6 octahedra. All Cs–Br bond lengths are 3.98 Å. Te4+ is bonded to six equivalent Br1- atoms to form TeBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Te–Br bond lengths are 2.75 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Te4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-23405

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; Cs2TeBr6; Br-Cs-Te

OSTI Identifier:: 1199484

DOI:: https://doi.org/10.17188/1199484

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                    The Materials Project. Materials Data on Cs2TeBr6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199484.

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                    The Materials Project. Materials Data on Cs2TeBr6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199484

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                    The Materials Project. 2020.  
"Materials Data on Cs2TeBr6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199484.  https://www.osti.gov/servlets/purl/1199484. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1199484,

  title        = {Materials Data on Cs2TeBr6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2TeBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with four equivalent TeBr6 octahedra. All Cs–Br bond lengths are 3.98 Å. Te4+ is bonded to six equivalent Br1- atoms to form TeBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Te–Br bond lengths are 2.75 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Te4+ atom.},

  doi          = {10.17188/1199484},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199484

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