Materials Data on YbF3 by Materials Project

doi:10.17188/1711134

Title: Materials Data on YbF3 by Materials Project

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Abstract

YbF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.41 Å) and six longer (2.78 Å) Yb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Yb3+ and four equivalent F1- atoms to form a mixture of face, edge, and corner-sharing FYb4F4 tetrahedra. All F–F bond lengths are 2.41 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Yb3+ and eight equivalent F1- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1187594

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; YbF3; F-Yb

OSTI Identifier:: 1711134

DOI:: https://doi.org/10.17188/1711134

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                    The Materials Project. Materials Data on YbF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711134.

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                    The Materials Project. Materials Data on YbF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711134

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                    The Materials Project. 2020.  
"Materials Data on YbF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711134.  https://www.osti.gov/servlets/purl/1711134. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1711134,

  title        = {Materials Data on YbF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YbF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.41 Å) and six longer (2.78 Å) Yb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Yb3+ and four equivalent F1- atoms to form a mixture of face, edge, and corner-sharing FYb4F4 tetrahedra. All F–F bond lengths are 2.41 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Yb3+ and eight equivalent F1- atoms.},

  doi          = {10.17188/1711134},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711134

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