Materials Data on Ta2FeB2 by Materials Project

doi:10.17188/1680908

Title: Materials Data on Ta2FeB2 by Materials Project

Dataset

Abstract

Ta2FeB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ta is bonded in a 6-coordinate geometry to four equivalent Fe and six equivalent B atoms. All Ta–Fe bond lengths are 2.71 Å. There are two shorter (2.38 Å) and four longer (2.43 Å) Ta–B bond lengths. Fe is bonded to eight equivalent Ta and four equivalent B atoms to form a mixture of distorted corner and face-sharing FeTa8B4 cuboctahedra. All Fe–B bond lengths are 2.30 Å. B is bonded in a 9-coordinate geometry to six equivalent Ta, two equivalent Fe, and one B atom. The B–B bond length is 1.87 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1095076

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; Ta2FeB2; B-Fe-Ta

OSTI Identifier:: 1680908

DOI:: https://doi.org/10.17188/1680908

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                    The Materials Project. Materials Data on Ta2FeB2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680908.

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                    The Materials Project. Materials Data on Ta2FeB2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680908

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                    The Materials Project. 2020.  
"Materials Data on Ta2FeB2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680908.  https://www.osti.gov/servlets/purl/1680908. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1680908,

  title        = {Materials Data on Ta2FeB2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta2FeB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ta is bonded in a 6-coordinate geometry to four equivalent Fe and six equivalent B atoms. All Ta–Fe bond lengths are 2.71 Å. There are two shorter (2.38 Å) and four longer (2.43 Å) Ta–B bond lengths. Fe is bonded to eight equivalent Ta and four equivalent B atoms to form a mixture of distorted corner and face-sharing FeTa8B4 cuboctahedra. All Fe–B bond lengths are 2.30 Å. B is bonded in a 9-coordinate geometry to six equivalent Ta, two equivalent Fe, and one B atom. The B–B bond length is 1.87 Å.},

  doi          = {10.17188/1680908},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680908

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