Materials Data on Pr2Au by Materials Project

doi:10.17188/1201322

Title: Materials Data on Pr2Au by Materials Project

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Abstract

Pr2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Au atoms. There are one shorter (3.08 Å) and two longer (3.25 Å) Pr–Au bond lengths. In the second Pr site, Pr is bonded to four equivalent Au atoms to form a mixture of distorted edge and corner-sharing PrAu4 tetrahedra. There are a spread of Pr–Au bond distances ranging from 3.03–3.20 Å. Au is bonded in a 7-coordinate geometry to seven Pr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-2714

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; Pr2Au; Au-Pr

OSTI Identifier:: 1201322

DOI:: https://doi.org/10.17188/1201322

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                    The Materials Project. Materials Data on Pr2Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201322.

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                    The Materials Project. Materials Data on Pr2Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1201322

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                    The Materials Project. 2020.  
"Materials Data on Pr2Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1201322.  https://www.osti.gov/servlets/purl/1201322. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1201322,

  title        = {Materials Data on Pr2Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Au atoms. There are one shorter (3.08 Å) and two longer (3.25 Å) Pr–Au bond lengths. In the second Pr site, Pr is bonded to four equivalent Au atoms to form a mixture of distorted edge and corner-sharing PrAu4 tetrahedra. There are a spread of Pr–Au bond distances ranging from 3.03–3.20 Å. Au is bonded in a 7-coordinate geometry to seven Pr atoms.},

  doi          = {10.17188/1201322},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1201322

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