Materials Data on NbFeB by Materials Project

doi:10.17188/1299817

Title: Materials Data on NbFeB by Materials Project

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Abstract

FeNbB crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nb is bonded to six equivalent Fe and six B atoms to form a mixture of edge and face-sharing NbFe6B6 cuboctahedra. All Nb–Fe bond lengths are 2.59 Å. All Nb–B bond lengths are 2.59 Å. Fe is bonded in a distorted trigonal planar geometry to six equivalent Nb and three B atoms. All Fe–B bond lengths are 2.13 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to six equivalent Nb and three equivalent Fe atoms. In the second B site, B is bonded in a 3-coordinate geometry to six equivalent Nb and three equivalent Fe atoms.

Publication Date:: 2020-07-23

Other Number(s):: mp-7705

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-Fe-Nb; crystal structure; NbFeB

OSTI Identifier:: 1299817

DOI:: https://doi.org/10.17188/1299817

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                    Materials Data on NbFeB by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1299817.

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                    Materials Data on NbFeB by Materials Project.  United States.  doi:https://doi.org/10.17188/1299817

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                    2020.  
"Materials Data on NbFeB by Materials Project".  United States.  doi:https://doi.org/10.17188/1299817.  https://www.osti.gov/servlets/purl/1299817. Pub date:Thu Jul 23 20:00:00 EDT 2020

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@article{osti_1299817,

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

  
  abstractNote = {FeNbB crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nb is bonded to six equivalent Fe and six B atoms to form a mixture of edge and face-sharing NbFe6B6 cuboctahedra. All Nb–Fe bond lengths are 2.59 Å. All Nb–B bond lengths are 2.59 Å. Fe is bonded in a distorted trigonal planar geometry to six equivalent Nb and three B atoms. All Fe–B bond lengths are 2.13 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to six equivalent Nb and three equivalent Fe atoms. In the second B site, B is bonded in a 3-coordinate geometry to six equivalent Nb and three equivalent Fe atoms.},

  doi          = {10.17188/1299817},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1299817

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