Materials Data on Fe3C by Materials Project

doi:10.17188/1741104

Title: Materials Data on Fe3C by Materials Project

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Abstract

Fe3C crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent C atoms to form a mixture of distorted edge and corner-sharing FeC4 tetrahedra. There are two shorter (2.13 Å) and two longer (2.19 Å) Fe–C bond lengths. In the second Fe site, Fe is bonded in a distorted water-like geometry to two equivalent C atoms. Both Fe–C bond lengths are 2.13 Å. In the third Fe site, Fe is bonded in a bent 120 degrees geometry to two equivalent C atoms. Both Fe–C bond lengths are 2.02 Å. C is bonded in a 8-coordinate geometry to eight Fe atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1205436

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; Fe3C; C-Fe

OSTI Identifier:: 1741104

DOI:: https://doi.org/10.17188/1741104

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                    The Materials Project. Materials Data on Fe3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741104.

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                    The Materials Project. Materials Data on Fe3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1741104

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                    The Materials Project. 2020.  
"Materials Data on Fe3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1741104.  https://www.osti.gov/servlets/purl/1741104. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1741104,

  title        = {Materials Data on Fe3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe3C crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent C atoms to form a mixture of distorted edge and corner-sharing FeC4 tetrahedra. There are two shorter (2.13 Å) and two longer (2.19 Å) Fe–C bond lengths. In the second Fe site, Fe is bonded in a distorted water-like geometry to two equivalent C atoms. Both Fe–C bond lengths are 2.13 Å. In the third Fe site, Fe is bonded in a bent 120 degrees geometry to two equivalent C atoms. Both Fe–C bond lengths are 2.02 Å. C is bonded in a 8-coordinate geometry to eight Fe atoms.},

  doi          = {10.17188/1741104},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1741104

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Materials Data on Fe3C by Materials Project

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