Materials Data on PuAu3 by Materials Project

doi:10.17188/1682830

Title: Materials Data on PuAu3 by Materials Project

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Abstract

PuAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.00 Å) and six longer (3.47 Å) Pu–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Pu3+ and four equivalent Au1- atoms to form a mixture of distorted edge, face, and corner-sharing AuPu4Au4 tetrahedra. All Au–Au bond lengths are 3.00 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Pu3+ and eight equivalent Au1- atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1186664

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; PuAu3; Au-Pu

OSTI Identifier:: 1682830

DOI:: https://doi.org/10.17188/1682830

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                    The Materials Project. Materials Data on PuAu3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682830.

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                    The Materials Project. Materials Data on PuAu3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682830

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                    The Materials Project. 2020.  
"Materials Data on PuAu3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682830.  https://www.osti.gov/servlets/purl/1682830. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1682830,

  title        = {Materials Data on PuAu3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PuAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.00 Å) and six longer (3.47 Å) Pu–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Pu3+ and four equivalent Au1- atoms to form a mixture of distorted edge, face, and corner-sharing AuPu4Au4 tetrahedra. All Au–Au bond lengths are 3.00 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Pu3+ and eight equivalent Au1- atoms.},

  doi          = {10.17188/1682830},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1682830

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