Materials Data on Ba3Yb by Materials Project

doi:10.17188/1690500

Title: Materials Data on Ba3Yb by Materials Project

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Abstract

Ba3Yb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Yb atoms to form BaBa8Yb4 cuboctahedra that share corners with four equivalent YbBa12 cuboctahedra, corners with fourteen equivalent BaBa8Yb4 cuboctahedra, edges with six equivalent YbBa12 cuboctahedra, edges with twelve equivalent BaBa8Yb4 cuboctahedra, faces with four equivalent YbBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Yb4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.31–4.37 Å. There are two shorter (4.32 Å) and two longer (4.34 Å) Ba–Yb bond lengths. Yb is bonded to twelve equivalent Ba atoms to form YbBa12 cuboctahedra that share corners with six equivalent YbBa12 cuboctahedra, corners with twelve equivalent BaBa8Yb4 cuboctahedra, edges with eighteen equivalent BaBa8Yb4 cuboctahedra, faces with eight equivalent YbBa12 cuboctahedra, and faces with twelve equivalent BaBa8Yb4 cuboctahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-1183354

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; Ba3Yb; Ba-Yb

OSTI Identifier:: 1690500

DOI:: https://doi.org/10.17188/1690500

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                    The Materials Project. Materials Data on Ba3Yb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1690500.

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                    The Materials Project. Materials Data on Ba3Yb by Materials Project.  United States.  doi:https://doi.org/10.17188/1690500

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                    The Materials Project. 2020.  
"Materials Data on Ba3Yb by Materials Project".  United States.  doi:https://doi.org/10.17188/1690500.  https://www.osti.gov/servlets/purl/1690500. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1690500,

  title        = {Materials Data on Ba3Yb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba3Yb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Yb atoms to form BaBa8Yb4 cuboctahedra that share corners with four equivalent YbBa12 cuboctahedra, corners with fourteen equivalent BaBa8Yb4 cuboctahedra, edges with six equivalent YbBa12 cuboctahedra, edges with twelve equivalent BaBa8Yb4 cuboctahedra, faces with four equivalent YbBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Yb4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.31–4.37 Å. There are two shorter (4.32 Å) and two longer (4.34 Å) Ba–Yb bond lengths. Yb is bonded to twelve equivalent Ba atoms to form YbBa12 cuboctahedra that share corners with six equivalent YbBa12 cuboctahedra, corners with twelve equivalent BaBa8Yb4 cuboctahedra, edges with eighteen equivalent BaBa8Yb4 cuboctahedra, faces with eight equivalent YbBa12 cuboctahedra, and faces with twelve equivalent BaBa8Yb4 cuboctahedra.},

  doi          = {10.17188/1690500},

  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/10.17188/1690500

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