Materials Data on BaYb3 by Materials Project

doi:10.17188/1674922

Title: Materials Data on BaYb3 by Materials Project

Dataset

Abstract

BaYb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms. There are eight shorter (3.87 Å) and six longer (4.47 Å) Ba–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Yb atoms. All Yb–Yb bond lengths are 3.87 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to six equivalent Ba and eight equivalent Yb atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1183399

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; BaYb3; Ba-Yb

OSTI Identifier:: 1674922

DOI:: https://doi.org/10.17188/1674922

Citation Formats


                    The Materials Project. Materials Data on BaYb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674922.

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                    The Materials Project. Materials Data on BaYb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674922

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                    The Materials Project. 2020.  
"Materials Data on BaYb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674922.  https://www.osti.gov/servlets/purl/1674922. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1674922,

  title        = {Materials Data on BaYb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaYb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms. There are eight shorter (3.87 Å) and six longer (4.47 Å) Ba–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Yb atoms. All Yb–Yb bond lengths are 3.87 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to six equivalent Ba and eight equivalent Yb atoms.},

  doi          = {10.17188/1674922},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1674922

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