Materials Data on Fe(CN)3 by Materials Project

doi:10.17188/1709140

Title: Materials Data on Fe(CN)3 by Materials Project

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Abstract

FeFe(CN)6 is alpha Po structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four iron molecules and four Fe(CN)6 clusters. In each Fe(CN)6 cluster, Fe3+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Fe–N bond lengths are 1.88 Å. C2+ 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 Fe3+ and one C2+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1212746

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; Fe(CN)3; C-Fe-N

OSTI Identifier:: 1709140

DOI:: https://doi.org/10.17188/1709140

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                    The Materials Project. Materials Data on Fe(CN)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1709140.

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                    The Materials Project. Materials Data on Fe(CN)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1709140

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                    The Materials Project. 2019.  
"Materials Data on Fe(CN)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1709140.  https://www.osti.gov/servlets/purl/1709140. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1709140,

  title        = {Materials Data on Fe(CN)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeFe(CN)6 is alpha Po structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four iron molecules and four Fe(CN)6 clusters. In each Fe(CN)6 cluster, Fe3+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Fe–N bond lengths are 1.88 Å. C2+ 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 Fe3+ and one C2+ atom.},

  doi          = {10.17188/1709140},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1709140

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