Materials Data on TmFe4B by Materials Project

doi:10.17188/1718552

Title: Materials Data on TmFe4B by Materials Project

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Abstract

TmFe4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Fe atoms. All Tm–Fe bond lengths are 2.90 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to twelve equivalent Fe and six equivalent B atoms. All Tm–Fe bond lengths are 2.93 Å. All Tm–B bond lengths are 2.90 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Fe atoms. All Fe–Fe bond lengths are 2.48 Å. In the second Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent Tm, two equivalent Fe, and two equivalent B atoms. Both Fe–B bond lengths are 2.09 Å. B is bonded in a 6-coordinate geometry to three equivalent Tm and six equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1102205

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; TmFe4B; B-Fe-Tm

OSTI Identifier:: 1718552

DOI:: https://doi.org/10.17188/1718552

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                    The Materials Project. Materials Data on TmFe4B by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1718552.

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                    The Materials Project. Materials Data on TmFe4B by Materials Project.  United States.  doi:https://doi.org/10.17188/1718552

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                    The Materials Project. 2018.  
"Materials Data on TmFe4B by Materials Project".  United States.  doi:https://doi.org/10.17188/1718552.  https://www.osti.gov/servlets/purl/1718552. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1718552,

  title        = {Materials Data on TmFe4B by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TmFe4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Fe atoms. All Tm–Fe bond lengths are 2.90 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to twelve equivalent Fe and six equivalent B atoms. All Tm–Fe bond lengths are 2.93 Å. All Tm–B bond lengths are 2.90 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Fe atoms. All Fe–Fe bond lengths are 2.48 Å. In the second Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent Tm, two equivalent Fe, and two equivalent B atoms. Both Fe–B bond lengths are 2.09 Å. B is bonded in a 6-coordinate geometry to three equivalent Tm and six equivalent Fe atoms.},

  doi          = {10.17188/1718552},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1718552

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