Materials Data on Fe3Cu by Materials Project

doi:10.17188/1694801

Title: Materials Data on Fe3Cu by Materials Project

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Abstract

Fe3Cu is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to six Fe and two equivalent Cu atoms. There are four shorter (2.47 Å) and two longer (2.48 Å) Fe–Fe bond lengths. Both Fe–Cu bond lengths are 2.52 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Fe atoms. All Fe–Fe bond lengths are 2.47 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Cu atoms. All Cu–Cu bond lengths are 2.47 Å.

Publication Date:: 2020-05-02

Other Number(s):: mp-1225131

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; crystal structure; Cu-Fe; Fe3Cu

OSTI Identifier:: 1694801

DOI:: https://doi.org/10.17188/1694801

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                    Materials Data on Fe3Cu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1694801.

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                    Materials Data on Fe3Cu by Materials Project.  United States.  doi:https://doi.org/10.17188/1694801

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                    2020.  
"Materials Data on Fe3Cu by Materials Project".  United States.  doi:https://doi.org/10.17188/1694801.  https://www.osti.gov/servlets/purl/1694801. Pub date:Sat May 02 20:00:00 EDT 2020

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@article{osti_1694801,

  title        = {Materials Data on Fe3Cu by Materials Project},

  
  abstractNote = {Fe3Cu is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to six Fe and two equivalent Cu atoms. There are four shorter (2.47 Å) and two longer (2.48 Å) Fe–Fe bond lengths. Both Fe–Cu bond lengths are 2.52 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Fe atoms. All Fe–Fe bond lengths are 2.47 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Cu atoms. All Cu–Cu bond lengths are 2.47 Å.},

  doi          = {10.17188/1694801},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1694801

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