Materials Data on PrNdAl6 by Materials Project

doi:10.17188/1738318

Title: Materials Data on PrNdAl6 by Materials Project

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Abstract

NdPrAl6 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve Al atoms. There are six shorter (3.15 Å) and six longer (3.31 Å) Nd–Al bond lengths. Pr is bonded in a 12-coordinate geometry to twelve Al atoms. There are six shorter (3.15 Å) and six longer (3.31 Å) Pr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Nd, two equivalent Pr, and six Al atoms. There are four shorter (2.78 Å) and two longer (2.79 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to two equivalent Nd, two equivalent Pr, and six Al atoms. Both Al–Al bond lengths are 2.81 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1219721

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; PrNdAl6; Al-Nd-Pr

OSTI Identifier:: 1738318

DOI:: https://doi.org/10.17188/1738318

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                    The Materials Project. Materials Data on PrNdAl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738318.

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                    The Materials Project. Materials Data on PrNdAl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738318

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                    The Materials Project. 2020.  
"Materials Data on PrNdAl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738318.  https://www.osti.gov/servlets/purl/1738318. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1738318,

  title        = {Materials Data on PrNdAl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdPrAl6 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve Al atoms. There are six shorter (3.15 Å) and six longer (3.31 Å) Nd–Al bond lengths. Pr is bonded in a 12-coordinate geometry to twelve Al atoms. There are six shorter (3.15 Å) and six longer (3.31 Å) Pr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Nd, two equivalent Pr, and six Al atoms. There are four shorter (2.78 Å) and two longer (2.79 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to two equivalent Nd, two equivalent Pr, and six Al atoms. Both Al–Al bond lengths are 2.81 Å.},

  doi          = {10.17188/1738318},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738318

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