Materials Data on PrAlPd by Materials Project

doi:10.17188/1685484

Title: Materials Data on PrAlPd by Materials Project

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Abstract

PrPdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 5-coordinate geometry to five Pd and six equivalent Al atoms. There are four shorter (3.05 Å) and one longer (3.07 Å) Pr–Pd bond lengths. There are two shorter (3.33 Å) and four longer (3.40 Å) Pr–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Al atoms. All Pd–Al bond lengths are 2.70 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Al atoms. All Pd–Al bond lengths are 2.89 Å. Al is bonded in a 12-coordinate geometry to six equivalent Pr and four Pd atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1080703

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; PrAlPd; Al-Pd-Pr

OSTI Identifier:: 1685484

DOI:: https://doi.org/10.17188/1685484

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                    The Materials Project. Materials Data on PrAlPd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685484.

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                    The Materials Project. Materials Data on PrAlPd by Materials Project.  United States.  doi:https://doi.org/10.17188/1685484

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                    The Materials Project. 2020.  
"Materials Data on PrAlPd by Materials Project".  United States.  doi:https://doi.org/10.17188/1685484.  https://www.osti.gov/servlets/purl/1685484. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1685484,

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

  author       = {The Materials Project},

  abstractNote = {PrPdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 5-coordinate geometry to five Pd and six equivalent Al atoms. There are four shorter (3.05 Å) and one longer (3.07 Å) Pr–Pd bond lengths. There are two shorter (3.33 Å) and four longer (3.40 Å) Pr–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Al atoms. All Pd–Al bond lengths are 2.70 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Al atoms. All Pd–Al bond lengths are 2.89 Å. Al is bonded in a 12-coordinate geometry to six equivalent Pr and four Pd atoms.},

  doi          = {10.17188/1685484},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685484

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