Materials Data on Nb3(Fe10B3)2 by Materials Project

doi:10.17188/1197103

Title: Materials Data on Nb3(Fe10B3)2 by Materials Project

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Abstract

Nb3(Fe10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted tetrahedral geometry to four equivalent Fe atoms. All Nb–Fe bond lengths are 2.50 Å. In the second Nb site, Nb is bonded in a distorted cuboctahedral geometry to twelve equivalent Fe atoms. All Nb–Fe bond lengths are 2.63 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted bent 150 degrees geometry to one Nb and two equivalent B atoms. Both Fe–B bond lengths are 2.13 Å. In the second Fe site, Fe is bonded to one Nb and three equivalent B atoms to form a mixture of distorted edge and corner-sharing FeNbB3 tetrahedra. All Fe–B bond lengths are 2.13 Å. B is bonded in a 8-coordinate geometry to eight Fe atoms.

Authors:: The Materials Project

Publication Date:: Fri Jun 05 00:00:00 EDT 2020

Other Number(s):: mp-21666

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; Nb3(Fe10B3)2; B-Fe-Nb

OSTI Identifier:: 1197103

DOI:: https://doi.org/10.17188/1197103

Citation Formats


                    The Materials Project. Materials Data on Nb3(Fe10B3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197103.

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                    The Materials Project. Materials Data on Nb3(Fe10B3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197103

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                    The Materials Project. 2020.  
"Materials Data on Nb3(Fe10B3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197103.  https://www.osti.gov/servlets/purl/1197103. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1197103,

  title        = {Materials Data on Nb3(Fe10B3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb3(Fe10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted tetrahedral geometry to four equivalent Fe atoms. All Nb–Fe bond lengths are 2.50 Å. In the second Nb site, Nb is bonded in a distorted cuboctahedral geometry to twelve equivalent Fe atoms. All Nb–Fe bond lengths are 2.63 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted bent 150 degrees geometry to one Nb and two equivalent B atoms. Both Fe–B bond lengths are 2.13 Å. In the second Fe site, Fe is bonded to one Nb and three equivalent B atoms to form a mixture of distorted edge and corner-sharing FeNbB3 tetrahedra. All Fe–B bond lengths are 2.13 Å. B is bonded in a 8-coordinate geometry to eight Fe atoms.},

  doi          = {10.17188/1197103},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jun 05 00:00:00 EDT 2020},

  month        = {Fri Jun 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1197103

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