Materials Data on Gd6Fe23 by Materials Project

doi:10.17188/1749664

Title: Materials Data on Gd6Fe23 by Materials Project

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Abstract

Gd6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Gd–Fe bond distances ranging from 2.85–3.03 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Gd and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.32–2.51 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 2.50 Å. In the third Fe site, Fe is bonded to four equivalent Gd and eight Fe atoms to form a mixture of face and corner-sharing FeGd4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å. In the fourth Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Gd and ten Fe atoms. All Fe–Fe bond lengths are 2.89 Å.

Authors:: The Materials Project

Publication Date:: Fri Jun 05 00:00:00 EDT 2020

Other Number(s):: mp-1194558

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; Gd6Fe23; Fe-Gd

OSTI Identifier:: 1749664

DOI:: https://doi.org/10.17188/1749664

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                    The Materials Project. Materials Data on Gd6Fe23 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749664.

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                    The Materials Project. Materials Data on Gd6Fe23 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749664

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                    The Materials Project. 2020.  
"Materials Data on Gd6Fe23 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749664.  https://www.osti.gov/servlets/purl/1749664. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1749664,

  title        = {Materials Data on Gd6Fe23 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Gd–Fe bond distances ranging from 2.85–3.03 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Gd and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.32–2.51 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 2.50 Å. In the third Fe site, Fe is bonded to four equivalent Gd and eight Fe atoms to form a mixture of face and corner-sharing FeGd4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å. In the fourth Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Gd and ten Fe atoms. All Fe–Fe bond lengths are 2.89 Å.},

  doi          = {10.17188/1749664},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jun 05 00:00:00 EDT 2020},

  month        = {Fri Jun 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1749664

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