Materials Data on Tl(CuS)2 by Materials Project

doi:10.17188/1312089

Title: Materials Data on Tl(CuS)2 by Materials Project

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Abstract

TlCu2S2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu+1.50+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.35 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Tl–S bond lengths are 3.35 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Cu+1.50+ and four equivalent Tl1+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-8676

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cu-S-Tl; Tl(CuS)2; crystal structure

OSTI Identifier:: 1312089

DOI:: https://doi.org/10.17188/1312089

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                    Materials Data on Tl(CuS)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1312089.

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                    Materials Data on Tl(CuS)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1312089

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                    2020.  
"Materials Data on Tl(CuS)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1312089.  https://www.osti.gov/servlets/purl/1312089. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1312089,

  title        = {Materials Data on Tl(CuS)2 by Materials Project},

  
  abstractNote = {TlCu2S2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu+1.50+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.35 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Tl–S bond lengths are 3.35 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Cu+1.50+ and four equivalent Tl1+ atoms.},

  doi          = {10.17188/1312089},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1312089

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