Materials Data on Tl2NiSe2 by Materials Project

doi:10.17188/1664243

Title: Materials Data on Tl2NiSe2 by Materials Project

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Abstract

Ni(TlSe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two nickel molecules and one TlSe framework. In the TlSe framework, Tl1+ is bonded to four equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing TlSe4 tetrahedra. All Tl–Se bond lengths are 3.12 Å. Se2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Se2- atom. The Se–Se bond length is 2.46 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1206900

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; Tl2NiSe2; Ni-Se-Tl

OSTI Identifier:: 1664243

DOI:: https://doi.org/10.17188/1664243

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                    The Materials Project. Materials Data on Tl2NiSe2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1664243.

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                    The Materials Project. Materials Data on Tl2NiSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1664243

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                    The Materials Project. 2019.  
"Materials Data on Tl2NiSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1664243.  https://www.osti.gov/servlets/purl/1664243. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1664243,

  title        = {Materials Data on Tl2NiSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni(TlSe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two nickel molecules and one TlSe framework. In the TlSe framework, Tl1+ is bonded to four equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing TlSe4 tetrahedra. All Tl–Se bond lengths are 3.12 Å. Se2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Se2- atom. The Se–Se bond length is 2.46 Å.},

  doi          = {10.17188/1664243},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1664243

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