Materials Data on PrAu6 by Materials Project

doi:10.17188/1274905

Title: Materials Data on PrAu6 by Materials Project

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Abstract

PrAu6 is beta Plutonium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to sixteen Au+0.50- atoms. There are a spread of Pr–Au bond distances ranging from 3.20–3.88 Å. There are three inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Pr3+ and nine Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.80–3.36 Å. In the second Au+0.50- site, Au+0.50- is bonded in a 3-coordinate geometry to three equivalent Pr3+ and seven Au+0.50- atoms. There are one shorter (2.81 Å) and two longer (3.03 Å) Au–Au bond lengths. In the third Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to two equivalent Pr3+ and eight Au+0.50- atoms. There are one shorter (2.85 Å) and one longer (2.88 Å) Au–Au bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-569032

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; PrAu6; Au-Pr

OSTI Identifier:: 1274905

DOI:: https://doi.org/10.17188/1274905

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                    The Materials Project. Materials Data on PrAu6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274905.

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                    The Materials Project. Materials Data on PrAu6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274905

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                    The Materials Project. 2020.  
"Materials Data on PrAu6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274905.  https://www.osti.gov/servlets/purl/1274905. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1274905,

  title        = {Materials Data on PrAu6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrAu6 is beta Plutonium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to sixteen Au+0.50- atoms. There are a spread of Pr–Au bond distances ranging from 3.20–3.88 Å. There are three inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Pr3+ and nine Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.80–3.36 Å. In the second Au+0.50- site, Au+0.50- is bonded in a 3-coordinate geometry to three equivalent Pr3+ and seven Au+0.50- atoms. There are one shorter (2.81 Å) and two longer (3.03 Å) Au–Au bond lengths. In the third Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to two equivalent Pr3+ and eight Au+0.50- atoms. There are one shorter (2.85 Å) and one longer (2.88 Å) Au–Au bond lengths.},

  doi          = {10.17188/1274905},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274905

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