Materials Data on U(FeP3)4 by Materials Project

doi:10.17188/1196314

Title: Materials Data on U(FeP3)4 by Materials Project

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Abstract

UFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. U3+ is bonded to twelve equivalent P1- atoms to form UP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All U–P bond lengths are 2.96 Å. Fe+2.25+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent UP12 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. All Fe–P bond lengths are 2.23 Å. P1- is bonded in a distorted bent 120 degrees geometry to one U3+, two equivalent Fe+2.25+, and two equivalent P1- atoms. Both P–P bond lengths are 2.35 Å.

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

Other Number(s):: mp-21053

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; Fe-P-U; U(FeP3)4; crystal structure

OSTI Identifier:: 1196314

DOI:: https://doi.org/10.17188/1196314

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                    Materials Data on U(FeP3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196314.

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                    Materials Data on U(FeP3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196314

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                    2020.  
"Materials Data on U(FeP3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196314.  https://www.osti.gov/servlets/purl/1196314. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1196314,

  title        = {Materials Data on U(FeP3)4 by Materials Project},

  
  abstractNote = {UFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. U3+ is bonded to twelve equivalent P1- atoms to form UP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All U–P bond lengths are 2.96 Å. Fe+2.25+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent UP12 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. All Fe–P bond lengths are 2.23 Å. P1- is bonded in a distorted bent 120 degrees geometry to one U3+, two equivalent Fe+2.25+, and two equivalent P1- atoms. Both P–P bond lengths are 2.35 Å.},

  doi          = {10.17188/1196314},

  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/10.17188/1196314

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