Materials Data on LiYb3 by Materials Project

doi:10.17188/1729594

Title: Materials Data on LiYb3 by Materials Project

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Abstract

LiYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Yb atoms to form LiYb12 cuboctahedra that share corners with six equivalent LiYb12 cuboctahedra, corners with twelve equivalent YbLi4Yb8 cuboctahedra, edges with eighteen equivalent YbLi4Yb8 cuboctahedra, faces with eight equivalent LiYb12 cuboctahedra, and faces with twelve equivalent YbLi4Yb8 cuboctahedra. There are six shorter (3.71 Å) and six longer (3.72 Å) Li–Yb bond lengths. Yb is bonded to four equivalent Li and eight equivalent Yb atoms to form YbLi4Yb8 cuboctahedra that share corners with four equivalent LiYb12 cuboctahedra, corners with fourteen equivalent YbLi4Yb8 cuboctahedra, edges with six equivalent LiYb12 cuboctahedra, edges with twelve equivalent YbLi4Yb8 cuboctahedra, faces with four equivalent LiYb12 cuboctahedra, and faces with sixteen equivalent YbLi4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.68–3.77 Å.

Authors:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-1185470

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; LiYb3; Li-Yb

OSTI Identifier:: 1729594

DOI:: https://doi.org/10.17188/1729594

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                    The Materials Project. Materials Data on LiYb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729594.

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                    The Materials Project. Materials Data on LiYb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729594

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                    The Materials Project. 2020.  
"Materials Data on LiYb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729594.  https://www.osti.gov/servlets/purl/1729594. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1729594,

  title        = {Materials Data on LiYb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Yb atoms to form LiYb12 cuboctahedra that share corners with six equivalent LiYb12 cuboctahedra, corners with twelve equivalent YbLi4Yb8 cuboctahedra, edges with eighteen equivalent YbLi4Yb8 cuboctahedra, faces with eight equivalent LiYb12 cuboctahedra, and faces with twelve equivalent YbLi4Yb8 cuboctahedra. There are six shorter (3.71 Å) and six longer (3.72 Å) Li–Yb bond lengths. Yb is bonded to four equivalent Li and eight equivalent Yb atoms to form YbLi4Yb8 cuboctahedra that share corners with four equivalent LiYb12 cuboctahedra, corners with fourteen equivalent YbLi4Yb8 cuboctahedra, edges with six equivalent LiYb12 cuboctahedra, edges with twelve equivalent YbLi4Yb8 cuboctahedra, faces with four equivalent LiYb12 cuboctahedra, and faces with sixteen equivalent YbLi4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.68–3.77 Å.},

  doi          = {10.17188/1729594},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1729594

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