Materials Data on PuHg3 by Materials Project

doi:10.17188/1664219

Title: Materials Data on PuHg3 by Materials Project

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Abstract

PuHg3 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 Hg atoms. There are eight shorter (3.19 Å) and six longer (3.68 Å) Pu–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted body-centered cubic geometry to four equivalent Pu and four equivalent Hg atoms. All Hg–Hg bond lengths are 3.19 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to six equivalent Pu and eight equivalent Hg atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-1186792

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; PuHg3; Hg-Pu

OSTI Identifier:: 1664219

DOI:: https://doi.org/10.17188/1664219

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                    The Materials Project. Materials Data on PuHg3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1664219.

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                    The Materials Project. Materials Data on PuHg3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1664219

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                    The Materials Project. 2020.  
"Materials Data on PuHg3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1664219.  https://www.osti.gov/servlets/purl/1664219. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1664219,

  title        = {Materials Data on PuHg3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PuHg3 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 Hg atoms. There are eight shorter (3.19 Å) and six longer (3.68 Å) Pu–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted body-centered cubic geometry to four equivalent Pu and four equivalent Hg atoms. All Hg–Hg bond lengths are 3.19 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to six equivalent Pu and eight equivalent Hg atoms.},

  doi          = {10.17188/1664219},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1664219

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