Materials Data on FeCu(C3N4)2 by Materials Project

doi:10.17188/1677699

Title: Materials Data on FeCu(C3N4)2 by Materials Project

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Abstract

FeCu(CN)6N2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules, four iron molecules, and four Cu(CN)6 clusters. In each Cu(CN)6 cluster, Cu1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Cu–N bond lengths are 2.02 Å. C+3.33+ is bonded in a 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 Cu1+ and one C+3.33+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1189156

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; FeCu(C3N4)2; C-Cu-Fe-N

OSTI Identifier:: 1677699

DOI:: https://doi.org/10.17188/1677699

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                    The Materials Project. Materials Data on FeCu(C3N4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677699.

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                    The Materials Project. Materials Data on FeCu(C3N4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677699

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                    The Materials Project. 2020.  
"Materials Data on FeCu(C3N4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677699.  https://www.osti.gov/servlets/purl/1677699. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1677699,

  title        = {Materials Data on FeCu(C3N4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeCu(CN)6N2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules, four iron molecules, and four Cu(CN)6 clusters. In each Cu(CN)6 cluster, Cu1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Cu–N bond lengths are 2.02 Å. C+3.33+ is bonded in a 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 Cu1+ and one C+3.33+ atom.},

  doi          = {10.17188/1677699},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677699

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