Materials Data on Y6Fe23 by Materials Project

doi:10.17188/1205020

Title: Materials Data on Y6Fe23 by Materials Project

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Abstract

Y6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.91–3.05 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Y and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–2.60 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.54 Å. In the third Fe site, Fe is bonded to four equivalent Y and eight Fe atoms to form a mixture of corner and face-sharing FeY4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.63 Å. In the fourth Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Y and ten Fe atoms. All Fe–Fe bond lengths are 2.94 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-30641

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; Y6Fe23; Fe-Y

OSTI Identifier:: 1205020

DOI:: https://doi.org/10.17188/1205020

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                    The Materials Project. Materials Data on Y6Fe23 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205020.

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                    The Materials Project. Materials Data on Y6Fe23 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205020

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                    The Materials Project. 2020.  
"Materials Data on Y6Fe23 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205020.  https://www.osti.gov/servlets/purl/1205020. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1205020,

  title        = {Materials Data on Y6Fe23 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.91–3.05 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Y and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–2.60 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.54 Å. In the third Fe site, Fe is bonded to four equivalent Y and eight Fe atoms to form a mixture of corner and face-sharing FeY4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.63 Å. In the fourth Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Y and ten Fe atoms. All Fe–Fe bond lengths are 2.94 Å.},

  doi          = {10.17188/1205020},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1205020

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