Materials Data on Tl(NiSe)2 by Materials Project

doi:10.17188/1208092

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

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Abstract

TlNi2Se2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ni+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing NiSe4 tetrahedra. All Ni–Se bond lengths are 2.37 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Tl–Se bond lengths are 3.41 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Ni+1.50+ and four equivalent Tl1+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-4354

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(NiSe)2; Ni-Se-Tl

OSTI Identifier:: 1208092

DOI:: https://doi.org/10.17188/1208092

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                    The Materials Project. Materials Data on Tl(NiSe)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208092.

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                    The Materials Project. Materials Data on Tl(NiSe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208092

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                    The Materials Project. 2020.  
"Materials Data on Tl(NiSe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208092.  https://www.osti.gov/servlets/purl/1208092. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1208092,

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

  author       = {The Materials Project},

  abstractNote = {TlNi2Se2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ni+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing NiSe4 tetrahedra. All Ni–Se bond lengths are 2.37 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Tl–Se bond lengths are 3.41 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Ni+1.50+ and four equivalent Tl1+ atoms.},

  doi          = {10.17188/1208092},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1208092

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