Materials Data on Y3Tl by Materials Project

doi:10.17188/1757685

Title: Materials Data on Y3Tl by Materials Project

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Abstract

Y3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded to eight equivalent Y and four equivalent Tl atoms to form distorted YY8Tl4 cuboctahedra that share corners with four equivalent TlY12 cuboctahedra, corners with fourteen equivalent YY8Tl4 cuboctahedra, edges with six equivalent TlY12 cuboctahedra, edges with twelve equivalent YY8Tl4 cuboctahedra, faces with four equivalent TlY12 cuboctahedra, and faces with sixteen equivalent YY8Tl4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.39–3.53 Å. There are two shorter (3.45 Å) and two longer (3.46 Å) Y–Tl bond lengths. Tl is bonded to twelve equivalent Y atoms to form TlY12 cuboctahedra that share corners with six equivalent TlY12 cuboctahedra, corners with twelve equivalent YY8Tl4 cuboctahedra, edges with eighteen equivalent YY8Tl4 cuboctahedra, faces with eight equivalent TlY12 cuboctahedra, and faces with twelve equivalent YY8Tl4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1187822

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; Y3Tl; Tl-Y

OSTI Identifier:: 1757685

DOI:: https://doi.org/10.17188/1757685

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                    The Materials Project. Materials Data on Y3Tl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757685.

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                    The Materials Project. Materials Data on Y3Tl by Materials Project.  United States.  doi:https://doi.org/10.17188/1757685

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                    The Materials Project. 2020.  
"Materials Data on Y3Tl by Materials Project".  United States.  doi:https://doi.org/10.17188/1757685.  https://www.osti.gov/servlets/purl/1757685. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757685,

  title        = {Materials Data on Y3Tl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded to eight equivalent Y and four equivalent Tl atoms to form distorted YY8Tl4 cuboctahedra that share corners with four equivalent TlY12 cuboctahedra, corners with fourteen equivalent YY8Tl4 cuboctahedra, edges with six equivalent TlY12 cuboctahedra, edges with twelve equivalent YY8Tl4 cuboctahedra, faces with four equivalent TlY12 cuboctahedra, and faces with sixteen equivalent YY8Tl4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.39–3.53 Å. There are two shorter (3.45 Å) and two longer (3.46 Å) Y–Tl bond lengths. Tl is bonded to twelve equivalent Y atoms to form TlY12 cuboctahedra that share corners with six equivalent TlY12 cuboctahedra, corners with twelve equivalent YY8Tl4 cuboctahedra, edges with eighteen equivalent YY8Tl4 cuboctahedra, faces with eight equivalent TlY12 cuboctahedra, and faces with twelve equivalent YY8Tl4 cuboctahedra.},

  doi          = {10.17188/1757685},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1757685

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