Materials Data on PrCu5 by Materials Project

doi:10.17188/1200169

Title: Materials Data on PrCu5 by Materials Project

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Abstract

PrCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to eighteen Cu atoms. There are six shorter (2.96 Å) and twelve longer (3.29 Å) Pr–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Cu atoms. All Cu–Cu bond lengths are 2.53 Å. In the second Cu site, Cu is bonded to four equivalent Pr and eight Cu atoms to form a mixture of face, edge, and corner-sharing CuPr4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.57 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-2462

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; PrCu5; Cu-Pr

OSTI Identifier:: 1200169

DOI:: https://doi.org/10.17188/1200169

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                    The Materials Project. Materials Data on PrCu5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200169.

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                    The Materials Project. Materials Data on PrCu5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200169

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                    The Materials Project. 2020.  
"Materials Data on PrCu5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200169.  https://www.osti.gov/servlets/purl/1200169. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1200169,

  title        = {Materials Data on PrCu5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to eighteen Cu atoms. There are six shorter (2.96 Å) and twelve longer (3.29 Å) Pr–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Cu atoms. All Cu–Cu bond lengths are 2.53 Å. In the second Cu site, Cu is bonded to four equivalent Pr and eight Cu atoms to form a mixture of face, edge, and corner-sharing CuPr4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.57 Å.},

  doi          = {10.17188/1200169},

  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/10.17188/1200169

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