Materials Data on TaFeB by Materials Project

doi:10.17188/1680436

Title: Materials Data on TaFeB by Materials Project

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Abstract

TaFeB crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ta is bonded in a 11-coordinate geometry to six equivalent Fe and five B atoms. There are two shorter (2.63 Å) and four longer (2.67 Å) Ta–Fe bond lengths. There are four shorter (2.41 Å) and one longer (2.46 Å) Ta–B bond lengths. Fe is bonded in a 12-coordinate geometry to six equivalent Ta, two equivalent Fe, and four B atoms. Both Fe–Fe bond lengths are 2.48 Å. There are two shorter (2.15 Å) and two longer (2.32 Å) Fe–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to three equivalent Ta and six equivalent Fe atoms. In the second B site, B is bonded in a 9-coordinate geometry to six equivalent Ta and three equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1080089

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; TaFeB; B-Fe-Ta

OSTI Identifier:: 1680436

DOI:: https://doi.org/10.17188/1680436

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                    The Materials Project. Materials Data on TaFeB by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680436.

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                    The Materials Project. Materials Data on TaFeB by Materials Project.  United States.  doi:https://doi.org/10.17188/1680436

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                    The Materials Project. 2020.  
"Materials Data on TaFeB by Materials Project".  United States.  doi:https://doi.org/10.17188/1680436.  https://www.osti.gov/servlets/purl/1680436. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1680436,

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

  author       = {The Materials Project},

  abstractNote = {TaFeB crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ta is bonded in a 11-coordinate geometry to six equivalent Fe and five B atoms. There are two shorter (2.63 Å) and four longer (2.67 Å) Ta–Fe bond lengths. There are four shorter (2.41 Å) and one longer (2.46 Å) Ta–B bond lengths. Fe is bonded in a 12-coordinate geometry to six equivalent Ta, two equivalent Fe, and four B atoms. Both Fe–Fe bond lengths are 2.48 Å. There are two shorter (2.15 Å) and two longer (2.32 Å) Fe–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to three equivalent Ta and six equivalent Fe atoms. In the second B site, B is bonded in a 9-coordinate geometry to six equivalent Ta and three equivalent Fe atoms.},

  doi          = {10.17188/1680436},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680436

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