Materials Data on PuAl4 by Materials Project

doi:10.17188/1266717

Title: Materials Data on PuAl4 by Materials Project

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Abstract

PuAl4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pu is bonded in a 11-coordinate geometry to thirteen Al atoms. There are a spread of Pu–Al bond distances ranging from 2.97–3.11 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Pu and eight Al atoms to form a mixture of distorted edge, corner, and face-sharing AlPu4Al8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.76–3.07 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to three equivalent Pu and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–3.07 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pu and ten Al atoms.

Authors:: The Materials Project

Publication Date:: Tue Oct 22 00:00:00 EDT 2019

Other Number(s):: mp-542776

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; PuAl4; Al-Pu

OSTI Identifier:: 1266717

DOI:: https://doi.org/10.17188/1266717

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                    The Materials Project. Materials Data on PuAl4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1266717.

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                    The Materials Project. Materials Data on PuAl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266717

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                    The Materials Project. 2019.  
"Materials Data on PuAl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266717.  https://www.osti.gov/servlets/purl/1266717. Pub date:Tue Oct 22 00:00:00 EDT 2019

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@article{osti_1266717,

  title        = {Materials Data on PuAl4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PuAl4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pu is bonded in a 11-coordinate geometry to thirteen Al atoms. There are a spread of Pu–Al bond distances ranging from 2.97–3.11 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Pu and eight Al atoms to form a mixture of distorted edge, corner, and face-sharing AlPu4Al8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.76–3.07 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to three equivalent Pu and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–3.07 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pu and ten Al atoms.},

  doi          = {10.17188/1266717},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Oct 22 00:00:00 EDT 2019},

  month        = {Tue Oct 22 00:00:00 EDT 2019}

}

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DOI: https://doi.org/10.17188/1266717

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