Materials Data on NbFeB by Materials Project

doi:10.17188/1725158

Title: Materials Data on NbFeB by Materials Project

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Abstract

FeNbB crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 7-coordinate geometry to three Fe and four equivalent B atoms. There are one shorter (2.41 Å) and two longer (2.56 Å) Nb–Fe bond lengths. All Nb–B bond lengths are 2.47 Å. In the second Nb site, Nb is bonded in a 7-coordinate geometry to three Fe and four equivalent B atoms. There are a spread of Nb–Fe bond distances ranging from 2.42–2.58 Å. There are two shorter (2.46 Å) and two longer (2.47 Å) Nb–B bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to three Nb and two equivalent B atoms to form a mixture of distorted corner and face-sharing FeNb3B2 trigonal bipyramids. Both Fe–B bond lengths are 2.01 Å. In the second Fe site, Fe is bonded to three Nb and two equivalent B atoms to form a mixture of distorted corner and face-sharing FeNb3B2 trigonal bipyramids. Both Fe–B bond lengths are 2.01 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1205377

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; NbFeB; B-Fe-Nb

OSTI Identifier:: 1725158

DOI:: https://doi.org/10.17188/1725158

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                    The Materials Project. Materials Data on NbFeB by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1725158.

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                    The Materials Project. Materials Data on NbFeB by Materials Project.  United States.  doi:https://doi.org/10.17188/1725158

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                    The Materials Project. 2019.  
"Materials Data on NbFeB by Materials Project".  United States.  doi:https://doi.org/10.17188/1725158.  https://www.osti.gov/servlets/purl/1725158. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1725158,

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

  author       = {The Materials Project},

  abstractNote = {FeNbB crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 7-coordinate geometry to three Fe and four equivalent B atoms. There are one shorter (2.41 Å) and two longer (2.56 Å) Nb–Fe bond lengths. All Nb–B bond lengths are 2.47 Å. In the second Nb site, Nb is bonded in a 7-coordinate geometry to three Fe and four equivalent B atoms. There are a spread of Nb–Fe bond distances ranging from 2.42–2.58 Å. There are two shorter (2.46 Å) and two longer (2.47 Å) Nb–B bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to three Nb and two equivalent B atoms to form a mixture of distorted corner and face-sharing FeNb3B2 trigonal bipyramids. Both Fe–B bond lengths are 2.01 Å. In the second Fe site, Fe is bonded to three Nb and two equivalent B atoms to form a mixture of distorted corner and face-sharing FeNb3B2 trigonal bipyramids. Both Fe–B bond lengths are 2.01 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six Nb atoms. In the second B site, B is bonded to six Fe atoms to form distorted face-sharing BFe6 pentagonal pyramids.},

  doi          = {10.17188/1725158},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1725158

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