Materials Data on PrPt5 by Materials Project

doi:10.17188/1187047

Title: Materials Data on PrPt5 by Materials Project

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Abstract

Pt5Pr crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.60- atoms. There are six shorter (3.14 Å) and twelve longer (3.51 Å) Pr–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded in a 12-coordinate geometry to three equivalent Pr3+ and six equivalent Pt+0.60- atoms. All Pt–Pt bond lengths are 2.72 Å. In the second Pt+0.60- site, Pt+0.60- is bonded to four equivalent Pr3+ and eight Pt+0.60- atoms to form a mixture of corner, edge, and face-sharing PtPr4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å.

Publication Date:: 2020-07-16

Other Number(s):: mp-1037

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Pr-Pt; PrPt5; crystal structure

OSTI Identifier:: 1187047

DOI:: https://doi.org/10.17188/1187047

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                    Materials Data on PrPt5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187047.

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                    Materials Data on PrPt5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187047

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                    2020.  
"Materials Data on PrPt5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187047.  https://www.osti.gov/servlets/purl/1187047. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187047,

  title        = {Materials Data on PrPt5 by Materials Project},

  
  abstractNote = {Pt5Pr crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.60- atoms. There are six shorter (3.14 Å) and twelve longer (3.51 Å) Pr–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded in a 12-coordinate geometry to three equivalent Pr3+ and six equivalent Pt+0.60- atoms. All Pt–Pt bond lengths are 2.72 Å. In the second Pt+0.60- site, Pt+0.60- is bonded to four equivalent Pr3+ and eight Pt+0.60- atoms to form a mixture of corner, edge, and face-sharing PtPr4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å.},

  doi          = {10.17188/1187047},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187047

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