Materials Data on Pu3Al by Materials Project

doi:10.17188/1195275

Title: Materials Data on Pu3Al by Materials Project

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Abstract

Pu3Al is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight equivalent Pu and four equivalent Al atoms to form PuPu8Al4 cuboctahedra that share corners with twelve equivalent PuPu8Al4 cuboctahedra, edges with eight equivalent AlPu12 cuboctahedra, edges with sixteen equivalent PuPu8Al4 cuboctahedra, faces with four equivalent AlPu12 cuboctahedra, and faces with fourteen PuPu8Al4 cuboctahedra. All Pu–Pu bond lengths are 3.09 Å. All Pu–Al bond lengths are 3.14 Å. In the second Pu site, Pu is bonded to eight Pu and four equivalent Al atoms to form distorted PuPu8Al4 cuboctahedra that share corners with twelve equivalent PuPu8Al4 cuboctahedra, edges with eight equivalent AlPu12 cuboctahedra, edges with sixteen PuPu8Al4 cuboctahedra, faces with four equivalent AlPu12 cuboctahedra, and faces with fourteen PuPu8Al4 cuboctahedra. All Pu–Pu bond lengths are 3.14 Å. All Pu–Al bond lengths are 3.09 Å. Al is bonded to twelve Pu atoms to form AlPu12 cuboctahedra that share corners with twelve equivalent AlPu12 cuboctahedra, edges with twenty-four PuPu8Al4 cuboctahedra, faces with six equivalent AlPu12 cuboctahedra, and faces with twelve PuPu8Al4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-20130

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; Pu3Al; Al-Pu

OSTI Identifier:: 1195275

DOI:: https://doi.org/10.17188/1195275

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                    The Materials Project. Materials Data on Pu3Al by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195275.

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                    The Materials Project. Materials Data on Pu3Al by Materials Project.  United States.  doi:https://doi.org/10.17188/1195275

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                    The Materials Project. 2020.  
"Materials Data on Pu3Al by Materials Project".  United States.  doi:https://doi.org/10.17188/1195275.  https://www.osti.gov/servlets/purl/1195275. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195275,

  title        = {Materials Data on Pu3Al by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pu3Al is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight equivalent Pu and four equivalent Al atoms to form PuPu8Al4 cuboctahedra that share corners with twelve equivalent PuPu8Al4 cuboctahedra, edges with eight equivalent AlPu12 cuboctahedra, edges with sixteen equivalent PuPu8Al4 cuboctahedra, faces with four equivalent AlPu12 cuboctahedra, and faces with fourteen PuPu8Al4 cuboctahedra. All Pu–Pu bond lengths are 3.09 Å. All Pu–Al bond lengths are 3.14 Å. In the second Pu site, Pu is bonded to eight Pu and four equivalent Al atoms to form distorted PuPu8Al4 cuboctahedra that share corners with twelve equivalent PuPu8Al4 cuboctahedra, edges with eight equivalent AlPu12 cuboctahedra, edges with sixteen PuPu8Al4 cuboctahedra, faces with four equivalent AlPu12 cuboctahedra, and faces with fourteen PuPu8Al4 cuboctahedra. All Pu–Pu bond lengths are 3.14 Å. All Pu–Al bond lengths are 3.09 Å. Al is bonded to twelve Pu atoms to form AlPu12 cuboctahedra that share corners with twelve equivalent AlPu12 cuboctahedra, edges with twenty-four PuPu8Al4 cuboctahedra, faces with six equivalent AlPu12 cuboctahedra, and faces with twelve PuPu8Al4 cuboctahedra.},

  doi          = {10.17188/1195275},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195275

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