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.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-999378

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; NbNi3; Nb-Ni

OSTI Identifier:: 1317556

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

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

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

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                    The Materials Project. 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 00:00:00 EDT 2020

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@article{osti_1317556,

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

  author       = {The 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         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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

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