Materials Data on Yb(FeP3)4 by Materials Project

doi:10.17188/1189288

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

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Abstract

YbFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent P1- atoms to form YbP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Yb–P bond lengths are 2.99 Å. Fe+2.50+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent YbP12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. All Fe–P bond lengths are 2.24 Å. P1- is bonded in a 2-coordinate geometry to one Yb2+, two equivalent Fe+2.50+, and two equivalent P1- atoms. There are one shorter (2.28 Å) and one longer (2.34 Å) P–P bond lengths.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-12956

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; Yb(FeP3)4; Fe-P-Yb

OSTI Identifier:: 1189288

DOI:: https://doi.org/10.17188/1189288

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                    The Materials Project. Materials Data on Yb(FeP3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189288.

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                    The Materials Project. Materials Data on Yb(FeP3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189288

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                    The Materials Project. 2020.  
"Materials Data on Yb(FeP3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189288.  https://www.osti.gov/servlets/purl/1189288. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1189288,

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

  author       = {The Materials Project},

  abstractNote = {YbFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent P1- atoms to form YbP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Yb–P bond lengths are 2.99 Å. Fe+2.50+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent YbP12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. All Fe–P bond lengths are 2.24 Å. P1- is bonded in a 2-coordinate geometry to one Yb2+, two equivalent Fe+2.50+, and two equivalent P1- atoms. There are one shorter (2.28 Å) and one longer (2.34 Å) P–P bond lengths.},

  doi          = {10.17188/1189288},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189288

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