Materials Data on NaDy3 by Materials Project

doi:10.17188/1749597

Title: Materials Data on NaDy3 by Materials Project

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Abstract

NaDy3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Dy atoms. There are eight shorter (3.45 Å) and six longer (3.98 Å) Na–Dy bond lengths. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Dy atoms. All Dy–Dy bond lengths are 3.45 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Dy atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1186131

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; NaDy3; Dy-Na

OSTI Identifier:: 1749597

DOI:: https://doi.org/10.17188/1749597

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                    The Materials Project. Materials Data on NaDy3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749597.

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                    The Materials Project. Materials Data on NaDy3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749597

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                    The Materials Project. 2020.  
"Materials Data on NaDy3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749597.  https://www.osti.gov/servlets/purl/1749597. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1749597,

  title        = {Materials Data on NaDy3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaDy3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Dy atoms. There are eight shorter (3.45 Å) and six longer (3.98 Å) Na–Dy bond lengths. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Dy atoms. All Dy–Dy bond lengths are 3.45 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Dy atoms.},

  doi          = {10.17188/1749597},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749597

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