Materials Data on Pu(AlGa)2 by Materials Project

doi:10.17188/1746517

Title: Materials Data on Pu(AlGa)2 by Materials Project

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Abstract

Pu(GaAl)2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pu is bonded in a 11-coordinate geometry to six equivalent Ga and seven Al atoms. There are four shorter (3.00 Å) and two longer (3.14 Å) Pu–Ga bond lengths. There are a spread of Pu–Al bond distances ranging from 3.05–3.14 Å. Ga is bonded in a 10-coordinate geometry to three equivalent Pu, three equivalent Ga, and four Al atoms. There are two shorter (2.60 Å) and one longer (2.76 Å) Ga–Ga bond lengths. There are a spread of Ga–Al bond distances ranging from 2.72–3.05 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to three equivalent Pu, six equivalent Ga, and four equivalent Al atoms. All Al–Al bond lengths are 3.04 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Pu, two equivalent Ga, and four equivalent Al atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1219763

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; Pu(AlGa)2; Al-Ga-Pu

OSTI Identifier:: 1746517

DOI:: https://doi.org/10.17188/1746517

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                    The Materials Project. Materials Data on Pu(AlGa)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746517.

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                    The Materials Project. Materials Data on Pu(AlGa)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746517

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                    The Materials Project. 2020.  
"Materials Data on Pu(AlGa)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746517.  https://www.osti.gov/servlets/purl/1746517. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746517,

  title        = {Materials Data on Pu(AlGa)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pu(GaAl)2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pu is bonded in a 11-coordinate geometry to six equivalent Ga and seven Al atoms. There are four shorter (3.00 Å) and two longer (3.14 Å) Pu–Ga bond lengths. There are a spread of Pu–Al bond distances ranging from 3.05–3.14 Å. Ga is bonded in a 10-coordinate geometry to three equivalent Pu, three equivalent Ga, and four Al atoms. There are two shorter (2.60 Å) and one longer (2.76 Å) Ga–Ga bond lengths. There are a spread of Ga–Al bond distances ranging from 2.72–3.05 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to three equivalent Pu, six equivalent Ga, and four equivalent Al atoms. All Al–Al bond lengths are 3.04 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Pu, two equivalent Ga, and four equivalent Al atoms.},

  doi          = {10.17188/1746517},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746517

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