Materials Data on Pu3Au by Materials Project

doi:10.17188/1315826

Title: Materials Data on Pu3Au by Materials Project

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Abstract

Pu3Au is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to four equivalent Pu and four equivalent Au atoms to form a mixture of distorted corner, edge, and face-sharing PuPu4Au4 tetrahedra. All Pu–Pu bond lengths are 2.92 Å. All Pu–Au bond lengths are 2.92 Å. In the second Pu site, Pu is bonded in a 8-coordinate geometry to eight equivalent Pu and six equivalent Au atoms. All Pu–Au bond lengths are 3.37 Å. Au is bonded in a distorted body-centered cubic geometry to fourteen Pu atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-978096

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; Pu3Au; Au-Pu

OSTI Identifier:: 1315826

DOI:: https://doi.org/10.17188/1315826

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                    The Materials Project. Materials Data on Pu3Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315826.

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                    The Materials Project. Materials Data on Pu3Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1315826

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                    The Materials Project. 2020.  
"Materials Data on Pu3Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1315826.  https://www.osti.gov/servlets/purl/1315826. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1315826,

  title        = {Materials Data on Pu3Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pu3Au is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to four equivalent Pu and four equivalent Au atoms to form a mixture of distorted corner, edge, and face-sharing PuPu4Au4 tetrahedra. All Pu–Pu bond lengths are 2.92 Å. All Pu–Au bond lengths are 2.92 Å. In the second Pu site, Pu is bonded in a 8-coordinate geometry to eight equivalent Pu and six equivalent Au atoms. All Pu–Au bond lengths are 3.37 Å. Au is bonded in a distorted body-centered cubic geometry to fourteen Pu atoms.},

  doi          = {10.17188/1315826},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1315826

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