Materials Data on YScFe4 by Materials Project

doi:10.17188/1749444

Title: Materials Data on YScFe4 by Materials Project

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Abstract

YScFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Fe atoms. All Y–Sc bond lengths are 3.08 Å. All Y–Fe bond lengths are 2.95 Å. Sc is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Fe atoms. All Sc–Fe bond lengths are 2.95 Å. Fe is bonded to three equivalent Y, three equivalent Sc, and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeY3Sc3Fe6 cuboctahedra. There are three shorter (2.51 Å) and three longer (2.53 Å) Fe–Fe bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-06-05

Other Number(s):: mp-1215942

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; YScFe4; Fe-Sc-Y

OSTI Identifier:: 1749444

DOI:: https://doi.org/10.17188/1749444

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                    The Materials Project. Materials Data on YScFe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749444.

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                    The Materials Project. Materials Data on YScFe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749444

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                    The Materials Project. 2020.  
"Materials Data on YScFe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749444.  https://www.osti.gov/servlets/purl/1749444. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1749444,

  title        = {Materials Data on YScFe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YScFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Fe atoms. All Y–Sc bond lengths are 3.08 Å. All Y–Fe bond lengths are 2.95 Å. Sc is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Fe atoms. All Sc–Fe bond lengths are 2.95 Å. Fe is bonded to three equivalent Y, three equivalent Sc, and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeY3Sc3Fe6 cuboctahedra. There are three shorter (2.51 Å) and three longer (2.53 Å) Fe–Fe bond lengths.},

  doi          = {10.17188/1749444},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1749444

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