Materials Data on Fe8N by Materials Project

doi:10.17188/1268293

Title: Materials Data on Fe8N by Materials Project

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Abstract

Fe8N crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.55 Å. In the second Fe site, Fe is bonded in a single-bond geometry to one N atom. The Fe–N bond length is 1.83 Å. In the third Fe site, Fe is bonded in a single-bond geometry to four equivalent Fe and one N atom. The Fe–N bond length is 1.96 Å. N is bonded in an octahedral geometry to six Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-555

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; Fe8N; Fe-N

OSTI Identifier:: 1268293

DOI:: https://doi.org/10.17188/1268293

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                    The Materials Project. Materials Data on Fe8N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268293.

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                    The Materials Project. Materials Data on Fe8N by Materials Project.  United States.  doi:https://doi.org/10.17188/1268293

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                    The Materials Project. 2020.  
"Materials Data on Fe8N by Materials Project".  United States.  doi:https://doi.org/10.17188/1268293.  https://www.osti.gov/servlets/purl/1268293. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1268293,

  title        = {Materials Data on Fe8N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe8N crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.55 Å. In the second Fe site, Fe is bonded in a single-bond geometry to one N atom. The Fe–N bond length is 1.83 Å. In the third Fe site, Fe is bonded in a single-bond geometry to four equivalent Fe and one N atom. The Fe–N bond length is 1.96 Å. N is bonded in an octahedral geometry to six Fe atoms.},

  doi          = {10.17188/1268293},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1268293

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