Materials Data on FeNi3 by Materials Project

doi:10.17188/1324740

Title: Materials Data on FeNi3 by Materials Project

Dataset
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Abstract

Ni3Fe is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe is bonded in a distorted body-centered cubic geometry to fourteen Ni atoms. There are eight shorter (2.44 Å) and six longer (2.82 Å) Fe–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Ni atoms. All Ni–Ni bond lengths are 2.44 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to six equivalent Fe and eight equivalent Ni atoms.

Publication Date:: 2020-07-20

Other Number(s):: mp-1007854

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; Fe-Ni; FeNi3; crystal structure

OSTI Identifier:: 1324740

DOI:: https://doi.org/10.17188/1324740

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                    Materials Data on FeNi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1324740.

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                    Materials Data on FeNi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1324740

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                    2020.  
"Materials Data on FeNi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1324740.  https://www.osti.gov/servlets/purl/1324740. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1324740,

  title        = {Materials Data on FeNi3 by Materials Project},

  
  abstractNote = {Ni3Fe is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe is bonded in a distorted body-centered cubic geometry to fourteen Ni atoms. There are eight shorter (2.44 Å) and six longer (2.82 Å) Fe–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Ni atoms. All Ni–Ni bond lengths are 2.44 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to six equivalent Fe and eight equivalent Ni atoms.},

  doi          = {10.17188/1324740},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1324740

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