Materials Data on Tb6Fe23 by Materials Project

doi:10.17188/1746582

Title: Materials Data on Tb6Fe23 by Materials Project

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Abstract

Tb6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Tb–Fe bond distances ranging from 2.91–3.06 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Tb and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–2.62 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 Tb and eight Fe atoms to form a mixture of corner and face-sharing FeTb4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.64 Å. In the fourth Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Tb and ten Fe atoms. All Fe–Fe bond lengths are 2.94 Å.

Authors:: The Materials Project

Publication Date:: 2020-06-05

Other Number(s):: mp-1193316

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; Tb6Fe23; Fe-Tb

OSTI Identifier:: 1746582

DOI:: https://doi.org/10.17188/1746582

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                    The Materials Project. Materials Data on Tb6Fe23 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746582.

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                    The Materials Project. Materials Data on Tb6Fe23 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746582

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                    The Materials Project. 2020.  
"Materials Data on Tb6Fe23 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746582.  https://www.osti.gov/servlets/purl/1746582. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1746582,

  title        = {Materials Data on Tb6Fe23 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Tb–Fe bond distances ranging from 2.91–3.06 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Tb and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–2.62 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 Tb and eight Fe atoms to form a mixture of corner and face-sharing FeTb4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.64 Å. In the fourth Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Tb and ten Fe atoms. All Fe–Fe bond lengths are 2.94 Å.},

  doi          = {10.17188/1746582},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1746582

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