Materials Data on PrAl4 by Materials Project

doi:10.17188/1199453

Title: Materials Data on PrAl4 by Materials Project

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Abstract

PrAl4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to sixteen Al atoms. There are eight shorter (3.29 Å) and eight longer (3.56 Å) Pr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to four equivalent Pr and five Al atoms. There are one shorter (2.54 Å) and four longer (2.66 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four equivalent Pr and eight Al atoms to form a mixture of distorted face, edge, and corner-sharing AlPr4Al8 cuboctahedra. All Al–Al bond lengths are 3.04 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-2336

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; PrAl4; Al-Pr

OSTI Identifier:: 1199453

DOI:: https://doi.org/10.17188/1199453

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                    The Materials Project. Materials Data on PrAl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199453.

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                    The Materials Project. Materials Data on PrAl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199453

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                    The Materials Project. 2020.  
"Materials Data on PrAl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199453.  https://www.osti.gov/servlets/purl/1199453. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1199453,

  title        = {Materials Data on PrAl4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrAl4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to sixteen Al atoms. There are eight shorter (3.29 Å) and eight longer (3.56 Å) Pr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to four equivalent Pr and five Al atoms. There are one shorter (2.54 Å) and four longer (2.66 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four equivalent Pr and eight Al atoms to form a mixture of distorted face, edge, and corner-sharing AlPr4Al8 cuboctahedra. All Al–Al bond lengths are 3.04 Å.},

  doi          = {10.17188/1199453},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199453

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