Materials Data on TlTe by Materials Project

doi:10.17188/1196015

Title: Materials Data on TlTe by Materials Project

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Abstract

TlTe crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 7-coordinate geometry to three equivalent Tl1+ and seven Te1- atoms. There are one shorter (3.58 Å) and two longer (3.79 Å) Tl–Tl bond lengths. There are a spread of Tl–Te bond distances ranging from 3.49–3.72 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 10-coordinate geometry to eight equivalent Tl1+ and two equivalent Te1- atoms. Both Te–Te bond lengths are 3.16 Å. In the second Te1- site, Te1- is bonded to four equivalent Tl1+ and four Te1- atoms to form corner-sharing TeTl4Te4 hexagonal bipyramids. There are two shorter (3.02 Å) and two longer (3.16 Å) Te–Te bond lengths. In the third Te1- site, Te1- is bonded in a 9-coordinate geometry to eight equivalent Tl1+ and one Te1- atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-2081

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; TlTe; Te-Tl

OSTI Identifier:: 1196015

DOI:: https://doi.org/10.17188/1196015

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                    The Materials Project. Materials Data on TlTe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196015.

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                    The Materials Project. Materials Data on TlTe by Materials Project.  United States.  doi:https://doi.org/10.17188/1196015

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                    The Materials Project. 2020.  
"Materials Data on TlTe by Materials Project".  United States.  doi:https://doi.org/10.17188/1196015.  https://www.osti.gov/servlets/purl/1196015. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1196015,

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

  author       = {The Materials Project},

  abstractNote = {TlTe crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 7-coordinate geometry to three equivalent Tl1+ and seven Te1- atoms. There are one shorter (3.58 Å) and two longer (3.79 Å) Tl–Tl bond lengths. There are a spread of Tl–Te bond distances ranging from 3.49–3.72 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 10-coordinate geometry to eight equivalent Tl1+ and two equivalent Te1- atoms. Both Te–Te bond lengths are 3.16 Å. In the second Te1- site, Te1- is bonded to four equivalent Tl1+ and four Te1- atoms to form corner-sharing TeTl4Te4 hexagonal bipyramids. There are two shorter (3.02 Å) and two longer (3.16 Å) Te–Te bond lengths. In the third Te1- site, Te1- is bonded in a 9-coordinate geometry to eight equivalent Tl1+ and one Te1- atom.},

  doi          = {10.17188/1196015},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1196015

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