Materials Data on YFe5 by Materials Project

doi:10.17188/1187790

Title: Materials Data on YFe5 by Materials Project

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Abstract

YFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.93 Å) and twelve longer (3.21 Å) Y–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Y and eight Fe atoms to form a mixture of corner, edge, and face-sharing FeY4Fe8 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.54 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-11385

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; YFe5; Fe-Y

OSTI Identifier:: 1187790

DOI:: https://doi.org/10.17188/1187790

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                    The Materials Project. Materials Data on YFe5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187790.

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                    The Materials Project. Materials Data on YFe5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187790

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                    The Materials Project. 2020.  
"Materials Data on YFe5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187790.  https://www.osti.gov/servlets/purl/1187790. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187790,

  title        = {Materials Data on YFe5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.93 Å) and twelve longer (3.21 Å) Y–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Y and eight Fe atoms to form a mixture of corner, edge, and face-sharing FeY4Fe8 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.54 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Fe atoms.},

  doi          = {10.17188/1187790},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187790

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