Materials Data on FeNi2(CN)6 by Materials Project

doi:10.17188/1196951

Title: Materials Data on FeNi2(CN)6 by Materials Project

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Abstract

Ni2Fe(CN)6 is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of four iron molecules, four nickel molecules, and four Ni(CN)6 clusters. In each Ni(CN)6 cluster, Ni2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Ni–N bond lengths are 1.96 Å. C+1.83+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Ni2+ and one C+1.83+ atom.

Publication Date:: 2020-07-14

Other Number(s):: mp-21498

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; C-Fe-N-Ni; FeNi2(CN)6; crystal structure

OSTI Identifier:: 1196951

DOI:: https://doi.org/10.17188/1196951

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                    Materials Data on FeNi2(CN)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196951.

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                    Materials Data on FeNi2(CN)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196951

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                    2020.  
"Materials Data on FeNi2(CN)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196951.  https://www.osti.gov/servlets/purl/1196951. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1196951,

  title        = {Materials Data on FeNi2(CN)6 by Materials Project},

  
  abstractNote = {Ni2Fe(CN)6 is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of four iron molecules, four nickel molecules, and four Ni(CN)6 clusters. In each Ni(CN)6 cluster, Ni2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Ni–N bond lengths are 1.96 Å. C+1.83+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Ni2+ and one C+1.83+ atom.},

  doi          = {10.17188/1196951},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1196951

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