Materials Data on Yb3Sc by Materials Project

doi:10.17188/1758295

Title: Materials Data on Yb3Sc by Materials Project

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Abstract

Yb3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Sc atoms to form distorted YbYb8Sc4 cuboctahedra that share corners with four equivalent ScYb12 cuboctahedra, corners with fourteen equivalent YbYb8Sc4 cuboctahedra, edges with six equivalent ScYb12 cuboctahedra, edges with twelve equivalent YbYb8Sc4 cuboctahedra, faces with four equivalent ScYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Sc4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.59–3.76 Å. There are two shorter (3.64 Å) and two longer (3.67 Å) Yb–Sc bond lengths. Sc is bonded to twelve equivalent Yb atoms to form ScYb12 cuboctahedra that share corners with six equivalent ScYb12 cuboctahedra, corners with twelve equivalent YbYb8Sc4 cuboctahedra, edges with eighteen equivalent YbYb8Sc4 cuboctahedra, faces with eight equivalent ScYb12 cuboctahedra, and faces with twelve equivalent YbYb8Sc4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1187986

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; Yb3Sc; Sc-Yb

OSTI Identifier:: 1758295

DOI:: https://doi.org/10.17188/1758295

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                    The Materials Project. Materials Data on Yb3Sc by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758295.

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                    The Materials Project. Materials Data on Yb3Sc by Materials Project.  United States.  doi:https://doi.org/10.17188/1758295

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                    The Materials Project. 2020.  
"Materials Data on Yb3Sc by Materials Project".  United States.  doi:https://doi.org/10.17188/1758295.  https://www.osti.gov/servlets/purl/1758295. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758295,

  title        = {Materials Data on Yb3Sc by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Sc atoms to form distorted YbYb8Sc4 cuboctahedra that share corners with four equivalent ScYb12 cuboctahedra, corners with fourteen equivalent YbYb8Sc4 cuboctahedra, edges with six equivalent ScYb12 cuboctahedra, edges with twelve equivalent YbYb8Sc4 cuboctahedra, faces with four equivalent ScYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Sc4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.59–3.76 Å. There are two shorter (3.64 Å) and two longer (3.67 Å) Yb–Sc bond lengths. Sc is bonded to twelve equivalent Yb atoms to form ScYb12 cuboctahedra that share corners with six equivalent ScYb12 cuboctahedra, corners with twelve equivalent YbYb8Sc4 cuboctahedra, edges with eighteen equivalent YbYb8Sc4 cuboctahedra, faces with eight equivalent ScYb12 cuboctahedra, and faces with twelve equivalent YbYb8Sc4 cuboctahedra.},

  doi          = {10.17188/1758295},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758295

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