Materials Data on Tl(CuSe)2 by Materials Project

doi:10.17188/1208555

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

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Abstract

TlCu2Se2 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 Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Tl–Se bond lengths are 3.43 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent Cu+1.50+ and four equivalent Tl1+ atoms.

Authors:: The Materials Project

Publication Date:: 2017-05-10

Other Number(s):: mp-5000

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; Tl(CuSe)2; Cu-Se-Tl

OSTI Identifier:: 1208555

DOI:: https://doi.org/10.17188/1208555

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                    The Materials Project. Materials Data on Tl(CuSe)2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1208555.

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                    The Materials Project. Materials Data on Tl(CuSe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208555

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                    The Materials Project. 2017.  
"Materials Data on Tl(CuSe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208555.  https://www.osti.gov/servlets/purl/1208555. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1208555,

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

  author       = {The Materials Project},

  abstractNote = {TlCu2Se2 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 Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Tl–Se bond lengths are 3.43 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent Cu+1.50+ and four equivalent Tl1+ atoms.},

  doi          = {10.17188/1208555},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1208555

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