Materials Data on PuBi3 by Materials Project

doi:10.17188/1309340

Title: Materials Data on PuBi3 by Materials Project

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Abstract

PuBi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu is bonded to twelve Bi atoms to form PuBi12 cuboctahedra that share corners with four equivalent PuBi12 cuboctahedra, edges with eight equivalent PuBi12 cuboctahedra, edges with sixteen equivalent BiPu4Bi8 cuboctahedra, faces with four equivalent PuBi12 cuboctahedra, and faces with eight equivalent BiPu4Bi8 cuboctahedra. There are four shorter (3.26 Å) and eight longer (3.59 Å) Pu–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Pu and eight Bi atoms to form distorted BiPu4Bi8 cuboctahedra that share corners with twelve equivalent BiPu4Bi8 cuboctahedra, edges with eight equivalent PuBi12 cuboctahedra, edges with eight equivalent BiPu4Bi8 cuboctahedra, faces with four equivalent PuBi12 cuboctahedra, and faces with ten equivalent BiPu4Bi8 cuboctahedra. There are four shorter (3.26 Å) and four longer (3.59 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a square co-planar geometry to four equivalent Pu and eight equivalent Bi atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-861952

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; PuBi3; Bi-Pu

OSTI Identifier:: 1309340

DOI:: https://doi.org/10.17188/1309340

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                    The Materials Project. Materials Data on PuBi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1309340.

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                    The Materials Project. Materials Data on PuBi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1309340

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                    The Materials Project. 2020.  
"Materials Data on PuBi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1309340.  https://www.osti.gov/servlets/purl/1309340. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1309340,

  title        = {Materials Data on PuBi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PuBi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu is bonded to twelve Bi atoms to form PuBi12 cuboctahedra that share corners with four equivalent PuBi12 cuboctahedra, edges with eight equivalent PuBi12 cuboctahedra, edges with sixteen equivalent BiPu4Bi8 cuboctahedra, faces with four equivalent PuBi12 cuboctahedra, and faces with eight equivalent BiPu4Bi8 cuboctahedra. There are four shorter (3.26 Å) and eight longer (3.59 Å) Pu–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Pu and eight Bi atoms to form distorted BiPu4Bi8 cuboctahedra that share corners with twelve equivalent BiPu4Bi8 cuboctahedra, edges with eight equivalent PuBi12 cuboctahedra, edges with eight equivalent BiPu4Bi8 cuboctahedra, faces with four equivalent PuBi12 cuboctahedra, and faces with ten equivalent BiPu4Bi8 cuboctahedra. There are four shorter (3.26 Å) and four longer (3.59 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a square co-planar geometry to four equivalent Pu and eight equivalent Bi atoms.},

  doi          = {10.17188/1309340},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1309340

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