Materials Data on PrAl7Au3 by Materials Project

doi:10.17188/1187539

Title: Materials Data on PrAl7Au3 by Materials Project

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Abstract

PrAu3Al7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Au and twelve equivalent Al atoms. All Pr–Au bond lengths are 3.30 Å. There are six shorter (3.34 Å) and six longer (3.41 Å) Pr–Al bond lengths. Au is bonded in a 9-coordinate geometry to two equivalent Pr and seven Al atoms. There are a spread of Au–Al bond distances ranging from 2.61–2.69 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Pr and three equivalent Au atoms. In the second Al site, Al is bonded in a trigonal planar geometry to three equivalent Au atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-11034

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; PrAl7Au3; Al-Au-Pr

OSTI Identifier:: 1187539

DOI:: https://doi.org/10.17188/1187539

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                    The Materials Project. Materials Data on PrAl7Au3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187539.

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                    The Materials Project. Materials Data on PrAl7Au3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187539

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                    The Materials Project. 2020.  
"Materials Data on PrAl7Au3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187539.  https://www.osti.gov/servlets/purl/1187539. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1187539,

  title        = {Materials Data on PrAl7Au3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrAu3Al7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Au and twelve equivalent Al atoms. All Pr–Au bond lengths are 3.30 Å. There are six shorter (3.34 Å) and six longer (3.41 Å) Pr–Al bond lengths. Au is bonded in a 9-coordinate geometry to two equivalent Pr and seven Al atoms. There are a spread of Au–Al bond distances ranging from 2.61–2.69 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Pr and three equivalent Au atoms. In the second Al site, Al is bonded in a trigonal planar geometry to three equivalent Au atoms.},

  doi          = {10.17188/1187539},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187539

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