Materials Data on Pr2FeCo3 by Materials Project

doi:10.17188/1675884

Title: Materials Data on Pr2FeCo3 by Materials Project

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Abstract

Pr2FeCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Pr, three equivalent Fe, and nine equivalent Co atoms. There are one shorter (3.10 Å) and three longer (3.26 Å) Pr–Pr bond lengths. All Pr–Fe bond lengths are 3.15 Å. There are three shorter (2.93 Å) and six longer (3.12 Å) Pr–Co bond lengths. Fe is bonded to six equivalent Pr and six equivalent Co atoms to form FePr6Co6 cuboctahedra that share corners with six equivalent FePr6Co6 cuboctahedra, corners with twelve equivalent CoPr6Fe2Co4 cuboctahedra, edges with six equivalent FePr6Co6 cuboctahedra, and faces with eighteen equivalent CoPr6Fe2Co4 cuboctahedra. All Fe–Co bond lengths are 2.55 Å. Co is bonded to six equivalent Pr, two equivalent Fe, and four equivalent Co atoms to form CoPr6Fe2Co4 cuboctahedra that share corners with four equivalent FePr6Co6 cuboctahedra, corners with fourteen equivalent CoPr6Fe2Co4 cuboctahedra, edges with six equivalent CoPr6Fe2Co4 cuboctahedra, faces with six equivalent FePr6Co6 cuboctahedra, and faces with twelve equivalent CoPr6Fe2Co4 cuboctahedra. All Co–Co bond lengths are 2.70 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1219853

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; Pr2FeCo3; Co-Fe-Pr

OSTI Identifier:: 1675884

DOI:: https://doi.org/10.17188/1675884

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                    The Materials Project. Materials Data on Pr2FeCo3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1675884.

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                    The Materials Project. Materials Data on Pr2FeCo3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675884

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                    The Materials Project. 2019.  
"Materials Data on Pr2FeCo3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675884.  https://www.osti.gov/servlets/purl/1675884. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1675884,

  title        = {Materials Data on Pr2FeCo3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2FeCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Pr, three equivalent Fe, and nine equivalent Co atoms. There are one shorter (3.10 Å) and three longer (3.26 Å) Pr–Pr bond lengths. All Pr–Fe bond lengths are 3.15 Å. There are three shorter (2.93 Å) and six longer (3.12 Å) Pr–Co bond lengths. Fe is bonded to six equivalent Pr and six equivalent Co atoms to form FePr6Co6 cuboctahedra that share corners with six equivalent FePr6Co6 cuboctahedra, corners with twelve equivalent CoPr6Fe2Co4 cuboctahedra, edges with six equivalent FePr6Co6 cuboctahedra, and faces with eighteen equivalent CoPr6Fe2Co4 cuboctahedra. All Fe–Co bond lengths are 2.55 Å. Co is bonded to six equivalent Pr, two equivalent Fe, and four equivalent Co atoms to form CoPr6Fe2Co4 cuboctahedra that share corners with four equivalent FePr6Co6 cuboctahedra, corners with fourteen equivalent CoPr6Fe2Co4 cuboctahedra, edges with six equivalent CoPr6Fe2Co4 cuboctahedra, faces with six equivalent FePr6Co6 cuboctahedra, and faces with twelve equivalent CoPr6Fe2Co4 cuboctahedra. All Co–Co bond lengths are 2.70 Å.},

  doi          = {10.17188/1675884},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1675884

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