Materials Data on PrRe2 by Materials Project

doi:10.17188/1732002

Title: Materials Data on PrRe2 by Materials Project

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Abstract

PrRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to twelve Re atoms. There are three shorter (3.21 Å) and nine longer (3.25 Å) Pr–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Pr and six equivalent Re atoms to form a mixture of corner, edge, and face-sharing RePr6Re6 cuboctahedra. All Re–Re bond lengths are 2.78 Å. In the second Re site, Re is bonded to six equivalent Pr and six Re atoms to form a mixture of corner, edge, and face-sharing RePr6Re6 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.83 Å) Re–Re bond lengths.

Publication Date:: 2020-05-03

Other Number(s):: mp-1102111

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-Re; PrRe2; crystal structure

OSTI Identifier:: 1732002

DOI:: https://doi.org/10.17188/1732002

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                    Materials Data on PrRe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732002.

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                    Materials Data on PrRe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732002

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                    2020.  
"Materials Data on PrRe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732002.  https://www.osti.gov/servlets/purl/1732002. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1732002,

  title        = {Materials Data on PrRe2 by Materials Project},

  
  abstractNote = {PrRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to twelve Re atoms. There are three shorter (3.21 Å) and nine longer (3.25 Å) Pr–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Pr and six equivalent Re atoms to form a mixture of corner, edge, and face-sharing RePr6Re6 cuboctahedra. All Re–Re bond lengths are 2.78 Å. In the second Re site, Re is bonded to six equivalent Pr and six Re atoms to form a mixture of corner, edge, and face-sharing RePr6Re6 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.83 Å) Re–Re bond lengths.},

  doi          = {10.17188/1732002},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732002

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