Materials Data on Sc3Tl by Materials Project

doi:10.17188/1744045

Title: Materials Data on Sc3Tl by Materials Project

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Abstract

Sc3Tl is beta Cu3Ti-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 Tl atoms to form ScSc8Tl4 cuboctahedra that share corners with four equivalent TlSc12 cuboctahedra, corners with fourteen equivalent ScSc8Tl4 cuboctahedra, edges with six equivalent TlSc12 cuboctahedra, edges with twelve equivalent ScSc8Tl4 cuboctahedra, faces with four equivalent TlSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Tl4 cuboctahedra. There are two shorter (3.19 Å) and six longer (3.24 Å) Sc–Sc bond lengths. All Sc–Tl bond lengths are 3.22 Å. Tl is bonded to twelve equivalent Sc atoms to form TlSc12 cuboctahedra that share corners with six equivalent TlSc12 cuboctahedra, corners with twelve equivalent ScSc8Tl4 cuboctahedra, edges with eighteen equivalent ScSc8Tl4 cuboctahedra, faces with eight equivalent TlSc12 cuboctahedra, and faces with twelve equivalent ScSc8Tl4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1186974

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; Sc3Tl; Sc-Tl

OSTI Identifier:: 1744045

DOI:: https://doi.org/10.17188/1744045

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                    The Materials Project. Materials Data on Sc3Tl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744045.

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                    The Materials Project. Materials Data on Sc3Tl by Materials Project.  United States.  doi:https://doi.org/10.17188/1744045

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                    The Materials Project. 2020.  
"Materials Data on Sc3Tl by Materials Project".  United States.  doi:https://doi.org/10.17188/1744045.  https://www.osti.gov/servlets/purl/1744045. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1744045,

  title        = {Materials Data on Sc3Tl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc3Tl is beta Cu3Ti-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 Tl atoms to form ScSc8Tl4 cuboctahedra that share corners with four equivalent TlSc12 cuboctahedra, corners with fourteen equivalent ScSc8Tl4 cuboctahedra, edges with six equivalent TlSc12 cuboctahedra, edges with twelve equivalent ScSc8Tl4 cuboctahedra, faces with four equivalent TlSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Tl4 cuboctahedra. There are two shorter (3.19 Å) and six longer (3.24 Å) Sc–Sc bond lengths. All Sc–Tl bond lengths are 3.22 Å. Tl is bonded to twelve equivalent Sc atoms to form TlSc12 cuboctahedra that share corners with six equivalent TlSc12 cuboctahedra, corners with twelve equivalent ScSc8Tl4 cuboctahedra, edges with eighteen equivalent ScSc8Tl4 cuboctahedra, faces with eight equivalent TlSc12 cuboctahedra, and faces with twelve equivalent ScSc8Tl4 cuboctahedra.},

  doi          = {10.17188/1744045},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1744045

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