Materials Data on Pr(P3Ru)4 by Materials Project

doi:10.17188/1208083

Title: Materials Data on Pr(P3Ru)4 by Materials Project

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Abstract

PrRu4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent P1- atoms to form PrP12 cuboctahedra that share faces with eight equivalent RuP6 octahedra. All Pr–P bond lengths are 3.13 Å. Ru+2.25+ is bonded to six equivalent P1- atoms to form RuP6 octahedra that share corners with six equivalent RuP6 octahedra and faces with two equivalent PrP12 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. All Ru–P bond lengths are 2.37 Å. P1- is bonded in a 5-coordinate geometry to one Pr3+, two equivalent Ru+2.25+, and two equivalent P1- atoms. There are one shorter (2.30 Å) and one longer (2.33 Å) P–P bond lengths.

Publication Date:: Tue Jul 14 04:00:00 UTC 2020

Other Number(s):: mp-4341

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; P-Pr-Ru; Pr(P3Ru)4; crystal structure

OSTI Identifier:: 1208083

DOI:: https://doi.org/10.17188/1208083

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                    Materials Data on Pr(P3Ru)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208083.

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                    Materials Data on Pr(P3Ru)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208083

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                    2020.  
"Materials Data on Pr(P3Ru)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208083.  https://www.osti.gov/servlets/purl/1208083. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1208083,

  title        = {Materials Data on Pr(P3Ru)4 by Materials Project},

  
  abstractNote = {PrRu4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent P1- atoms to form PrP12 cuboctahedra that share faces with eight equivalent RuP6 octahedra. All Pr–P bond lengths are 3.13 Å. Ru+2.25+ is bonded to six equivalent P1- atoms to form RuP6 octahedra that share corners with six equivalent RuP6 octahedra and faces with two equivalent PrP12 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. All Ru–P bond lengths are 2.37 Å. P1- is bonded in a 5-coordinate geometry to one Pr3+, two equivalent Ru+2.25+, and two equivalent P1- atoms. There are one shorter (2.30 Å) and one longer (2.33 Å) P–P bond lengths.},

  doi          = {10.17188/1208083},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 04:00:00 UTC 2020},

  month        = {Tue Jul 14 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1208083

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