Materials Data on PuNpB4 by Materials Project

doi:10.17188/1688235

Title: Materials Data on PuNpB4 by Materials Project

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Abstract

PuNpB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pu3+ is bonded to twelve equivalent B+1.50- atoms to form PuB12 cuboctahedra that share edges with twelve equivalent NpB12 cuboctahedra, faces with two equivalent NpB12 cuboctahedra, and faces with six equivalent PuB12 cuboctahedra. All Pu–B bond lengths are 2.69 Å. Np3+ is bonded to twelve equivalent B+1.50- atoms to form NpB12 cuboctahedra that share edges with twelve equivalent PuB12 cuboctahedra, faces with two equivalent PuB12 cuboctahedra, and faces with six equivalent NpB12 cuboctahedra. All Np–B bond lengths are 2.68 Å. B+1.50- is bonded in a 3-coordinate geometry to three equivalent Pu3+, three equivalent Np3+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.79 Å.

Authors:: The Materials Project

Publication Date:: 2020-06-04

Other Number(s):: mp-1219654

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; PuNpB4; B-Np-Pu

OSTI Identifier:: 1688235

DOI:: https://doi.org/10.17188/1688235

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                    The Materials Project. Materials Data on PuNpB4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1688235.

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                    The Materials Project. Materials Data on PuNpB4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1688235

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                    The Materials Project. 2020.  
"Materials Data on PuNpB4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1688235.  https://www.osti.gov/servlets/purl/1688235. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1688235,

  title        = {Materials Data on PuNpB4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PuNpB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pu3+ is bonded to twelve equivalent B+1.50- atoms to form PuB12 cuboctahedra that share edges with twelve equivalent NpB12 cuboctahedra, faces with two equivalent NpB12 cuboctahedra, and faces with six equivalent PuB12 cuboctahedra. All Pu–B bond lengths are 2.69 Å. Np3+ is bonded to twelve equivalent B+1.50- atoms to form NpB12 cuboctahedra that share edges with twelve equivalent PuB12 cuboctahedra, faces with two equivalent PuB12 cuboctahedra, and faces with six equivalent NpB12 cuboctahedra. All Np–B bond lengths are 2.68 Å. B+1.50- is bonded in a 3-coordinate geometry to three equivalent Pu3+, three equivalent Np3+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.79 Å.},

  doi          = {10.17188/1688235},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1688235

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