Materials Data on La(FeSb3)4 by Materials Project

doi:10.17188/1204497

Title: Materials Data on La(FeSb3)4 by Materials Project

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Abstract

LaFe4Sb12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent Sb+1.25- atoms to form LaSb12 cuboctahedra that share faces with eight equivalent FeSb6 octahedra. All La–Sb bond lengths are 3.42 Å. Fe3+ is bonded to six equivalent Sb+1.25- atoms to form FeSb6 octahedra that share corners with six equivalent FeSb6 octahedra and faces with two equivalent LaSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. All Fe–Sb bond lengths are 2.55 Å. Sb+1.25- is bonded in a 2-coordinate geometry to one La3+, two equivalent Fe3+, and two equivalent Sb+1.25- atoms. There are one shorter (3.00 Å) and one longer (3.03 Å) Sb–Sb bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-30073

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; La(FeSb3)4; Fe-La-Sb

OSTI Identifier:: 1204497

DOI:: https://doi.org/10.17188/1204497

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                    The Materials Project. Materials Data on La(FeSb3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204497.

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                    The Materials Project. Materials Data on La(FeSb3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204497

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                    The Materials Project. 2020.  
"Materials Data on La(FeSb3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204497.  https://www.osti.gov/servlets/purl/1204497. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204497,

  title        = {Materials Data on La(FeSb3)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaFe4Sb12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent Sb+1.25- atoms to form LaSb12 cuboctahedra that share faces with eight equivalent FeSb6 octahedra. All La–Sb bond lengths are 3.42 Å. Fe3+ is bonded to six equivalent Sb+1.25- atoms to form FeSb6 octahedra that share corners with six equivalent FeSb6 octahedra and faces with two equivalent LaSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. All Fe–Sb bond lengths are 2.55 Å. Sb+1.25- is bonded in a 2-coordinate geometry to one La3+, two equivalent Fe3+, and two equivalent Sb+1.25- atoms. There are one shorter (3.00 Å) and one longer (3.03 Å) Sb–Sb bond lengths.},

  doi          = {10.17188/1204497},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204497

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