Materials Data on Sc3Te by Materials Project

doi:10.17188/1676575

Title: Materials Data on Sc3Te by Materials Project

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Abstract

Sc3Te is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Te atoms to form distorted ScSc8Te4 cuboctahedra that share corners with four equivalent TeSc12 cuboctahedra, corners with fourteen equivalent ScSc8Te4 cuboctahedra, edges with six equivalent TeSc12 cuboctahedra, edges with twelve equivalent ScSc8Te4 cuboctahedra, faces with four equivalent TeSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Te4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.15–3.19 Å. There are two shorter (3.14 Å) and two longer (3.18 Å) Sc–Te bond lengths. Te is bonded to twelve equivalent Sc atoms to form TeSc12 cuboctahedra that share corners with six equivalent TeSc12 cuboctahedra, corners with twelve equivalent ScSc8Te4 cuboctahedra, edges with eighteen equivalent ScSc8Te4 cuboctahedra, faces with eight equivalent TeSc12 cuboctahedra, and faces with twelve equivalent ScSc8Te4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1186975

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; Sc3Te; Sc-Te

OSTI Identifier:: 1676575

DOI:: https://doi.org/10.17188/1676575

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                    The Materials Project. Materials Data on Sc3Te by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676575.

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                    The Materials Project. Materials Data on Sc3Te by Materials Project.  United States.  doi:https://doi.org/10.17188/1676575

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                    The Materials Project. 2020.  
"Materials Data on Sc3Te by Materials Project".  United States.  doi:https://doi.org/10.17188/1676575.  https://www.osti.gov/servlets/purl/1676575. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1676575,

  title        = {Materials Data on Sc3Te by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc3Te is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Te atoms to form distorted ScSc8Te4 cuboctahedra that share corners with four equivalent TeSc12 cuboctahedra, corners with fourteen equivalent ScSc8Te4 cuboctahedra, edges with six equivalent TeSc12 cuboctahedra, edges with twelve equivalent ScSc8Te4 cuboctahedra, faces with four equivalent TeSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Te4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.15–3.19 Å. There are two shorter (3.14 Å) and two longer (3.18 Å) Sc–Te bond lengths. Te is bonded to twelve equivalent Sc atoms to form TeSc12 cuboctahedra that share corners with six equivalent TeSc12 cuboctahedra, corners with twelve equivalent ScSc8Te4 cuboctahedra, edges with eighteen equivalent ScSc8Te4 cuboctahedra, faces with eight equivalent TeSc12 cuboctahedra, and faces with twelve equivalent ScSc8Te4 cuboctahedra.},

  doi          = {10.17188/1676575},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1676575

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