Materials Data on CsYb3 by Materials Project

doi:10.17188/1743930

Title: Materials Data on CsYb3 by Materials Project

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Abstract

CsYb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded to twelve Yb atoms to form CsYb12 cuboctahedra that share corners with four equivalent CsYb12 cuboctahedra, corners with eight equivalent YbCs4Yb8 cuboctahedra, edges with eight equivalent CsYb12 cuboctahedra, edges with sixteen equivalent YbCs4Yb8 cuboctahedra, faces with four equivalent CsYb12 cuboctahedra, and faces with fourteen YbCs4Yb8 cuboctahedra. There are eight shorter (4.17 Å) and four longer (4.21 Å) Cs–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Cs and eight Yb atoms to form distorted YbCs4Yb8 cuboctahedra that share corners with twelve equivalent YbCs4Yb8 cuboctahedra, edges with eight equivalent CsYb12 cuboctahedra, edges with sixteen YbCs4Yb8 cuboctahedra, faces with four equivalent CsYb12 cuboctahedra, and faces with fourteen YbCs4Yb8 cuboctahedra. There are four shorter (4.17 Å) and four longer (4.21 Å) Yb–Yb bond lengths. In the second Yb site, Yb is bonded to four equivalent Cs and eight equivalent Yb atoms to form YbCs4Yb8 cuboctahedra that share corners with four equivalent YbCs4Yb8 cuboctahedra, corners with eight equivalent CsYb12 cuboctahedra, edges with twenty-four YbCs4Yb8 cuboctahedra, faces with six equivalent CsYb12 cuboctahedra, and facesmore » with twelve YbCs4Yb8 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1184019

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; CsYb3; Cs-Yb

OSTI Identifier:: 1743930

DOI:: https://doi.org/10.17188/1743930

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                    The Materials Project. Materials Data on CsYb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743930.

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                    The Materials Project. Materials Data on CsYb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1743930

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                    The Materials Project. 2020.  
"Materials Data on CsYb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1743930.  https://www.osti.gov/servlets/purl/1743930. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1743930,

  title        = {Materials Data on CsYb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsYb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded to twelve Yb atoms to form CsYb12 cuboctahedra that share corners with four equivalent CsYb12 cuboctahedra, corners with eight equivalent YbCs4Yb8 cuboctahedra, edges with eight equivalent CsYb12 cuboctahedra, edges with sixteen equivalent YbCs4Yb8 cuboctahedra, faces with four equivalent CsYb12 cuboctahedra, and faces with fourteen YbCs4Yb8 cuboctahedra. There are eight shorter (4.17 Å) and four longer (4.21 Å) Cs–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Cs and eight Yb atoms to form distorted YbCs4Yb8 cuboctahedra that share corners with twelve equivalent YbCs4Yb8 cuboctahedra, edges with eight equivalent CsYb12 cuboctahedra, edges with sixteen YbCs4Yb8 cuboctahedra, faces with four equivalent CsYb12 cuboctahedra, and faces with fourteen YbCs4Yb8 cuboctahedra. There are four shorter (4.17 Å) and four longer (4.21 Å) Yb–Yb bond lengths. In the second Yb site, Yb is bonded to four equivalent Cs and eight equivalent Yb atoms to form YbCs4Yb8 cuboctahedra that share corners with four equivalent YbCs4Yb8 cuboctahedra, corners with eight equivalent CsYb12 cuboctahedra, edges with twenty-four YbCs4Yb8 cuboctahedra, faces with six equivalent CsYb12 cuboctahedra, and faces with twelve YbCs4Yb8 cuboctahedra.},

  doi          = {10.17188/1743930},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1743930

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