Materials Data on TcSnSe by Materials Project

doi:10.17188/1279100

Title: Materials Data on TcSnSe by Materials Project

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Abstract

TcSnSe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc1- is bonded in a 10-coordinate geometry to four equivalent Sn3+ and six equivalent Se2- atoms. All Tc–Sn bond lengths are 2.83 Å. All Tc–Se bond lengths are 3.26 Å. Sn3+ is bonded in a body-centered cubic geometry to four equivalent Tc1- and four equivalent Se2- atoms. All Sn–Se bond lengths are 2.83 Å. Se2- is bonded to six equivalent Tc1- and four equivalent Sn3+ atoms to form a mixture of distorted corner and face-sharing SeTc6Sn4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-631366

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; TcSnSe; Se-Sn-Tc

OSTI Identifier:: 1279100

DOI:: https://doi.org/10.17188/1279100

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                    The Materials Project. Materials Data on TcSnSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279100.

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                    The Materials Project. Materials Data on TcSnSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1279100

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                    The Materials Project. 2020.  
"Materials Data on TcSnSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1279100.  https://www.osti.gov/servlets/purl/1279100. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1279100,

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

  author       = {The Materials Project},

  abstractNote = {TcSnSe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc1- is bonded in a 10-coordinate geometry to four equivalent Sn3+ and six equivalent Se2- atoms. All Tc–Sn bond lengths are 2.83 Å. All Tc–Se bond lengths are 3.26 Å. Sn3+ is bonded in a body-centered cubic geometry to four equivalent Tc1- and four equivalent Se2- atoms. All Sn–Se bond lengths are 2.83 Å. Se2- is bonded to six equivalent Tc1- and four equivalent Sn3+ atoms to form a mixture of distorted corner and face-sharing SeTc6Sn4 tetrahedra.},

  doi          = {10.17188/1279100},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1279100

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