Materials Data on TlCuSe2 by Materials Project

doi:10.17188/1189950

Title: Materials Data on TlCuSe2 by Materials Project

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Abstract

CuTlSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent TlSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Tl3+ is bonded to four equivalent Se2- atoms to form TlSe4 tetrahedra that share corners with four equivalent TlSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Tl–Se bond lengths are 2.76 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent Tl3+ atoms to form corner-sharing SeTl2Cu2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-14090

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; TlCuSe2; Cu-Se-Tl

OSTI Identifier:: 1189950

DOI:: https://doi.org/10.17188/1189950

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                    The Materials Project. Materials Data on TlCuSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189950.

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                    The Materials Project. Materials Data on TlCuSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189950

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                    The Materials Project. 2020.  
"Materials Data on TlCuSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189950.  https://www.osti.gov/servlets/purl/1189950. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1189950,

  title        = {Materials Data on TlCuSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuTlSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent TlSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Tl3+ is bonded to four equivalent Se2- atoms to form TlSe4 tetrahedra that share corners with four equivalent TlSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Tl–Se bond lengths are 2.76 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent Tl3+ atoms to form corner-sharing SeTl2Cu2 tetrahedra.},

  doi          = {10.17188/1189950},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1189950

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