Materials Data on NbNi3 by Materials Project

doi:10.17188/1317556

Title: Materials Data on NbNi3 by Materials Project

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Abstract

Ni3Nb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a distorted body-centered cubic geometry to fourteen Ni atoms. There are eight shorter (2.54 Å) and six longer (2.93 Å) Nb–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to six equivalent Nb and eight equivalent Ni atoms. All Ni–Ni bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Ni atoms.

Publication Date:: 2020-07-24

Other Number(s):: mp-999378

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; Nb-Ni; NbNi3; crystal structure

OSTI Identifier:: 1317556

DOI:: https://doi.org/10.17188/1317556

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                    Materials Data on NbNi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317556.

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                    Materials Data on NbNi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317556

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                    2020.  
"Materials Data on NbNi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317556.  https://www.osti.gov/servlets/purl/1317556. Pub date:Fri Jul 24 04:00:00 UTC 2020

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@article{osti_1317556,

  title        = {Materials Data on NbNi3 by Materials Project},

  
  abstractNote = {Ni3Nb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a distorted body-centered cubic geometry to fourteen Ni atoms. There are eight shorter (2.54 Å) and six longer (2.93 Å) Nb–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to six equivalent Nb and eight equivalent Ni atoms. All Ni–Ni bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Ni atoms.},

  doi          = {10.17188/1317556},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317556

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