Materials Data on PuNp3 by Materials Project

doi:10.17188/1685743

Title: Materials Data on PuNp3 by Materials Project

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Abstract

PuNp3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded in a distorted body-centered cubic geometry to fourteen Np atoms. There are eight shorter (2.82 Å) and six longer (3.26 Å) Pu–Np bond lengths. There are two inequivalent Np sites. In the first Np site, Np is bonded in a distorted body-centered cubic geometry to four equivalent Pu and four equivalent Np atoms. All Np–Np bond lengths are 2.82 Å. In the second Np site, Np is bonded in a 8-coordinate geometry to six equivalent Pu and eight equivalent Np atoms.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1186824

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; PuNp3; Np-Pu

OSTI Identifier:: 1685743

DOI:: https://doi.org/10.17188/1685743

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                    The Materials Project. Materials Data on PuNp3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685743.

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                    The Materials Project. Materials Data on PuNp3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685743

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                    The Materials Project. 2019.  
"Materials Data on PuNp3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685743.  https://www.osti.gov/servlets/purl/1685743. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1685743,

  title        = {Materials Data on PuNp3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PuNp3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded in a distorted body-centered cubic geometry to fourteen Np atoms. There are eight shorter (2.82 Å) and six longer (3.26 Å) Pu–Np bond lengths. There are two inequivalent Np sites. In the first Np site, Np is bonded in a distorted body-centered cubic geometry to four equivalent Pu and four equivalent Np atoms. All Np–Np bond lengths are 2.82 Å. In the second Np site, Np is bonded in a 8-coordinate geometry to six equivalent Pu and eight equivalent Np atoms.},

  doi          = {10.17188/1685743},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1685743

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