Materials Data on Fe7C3 by Materials Project

doi:10.17188/1193013

Title: Materials Data on Fe7C3 by Materials Project

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Abstract

Fe7C3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent C atoms. Both Fe–C bond lengths are 2.04 Å. In the second Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent C atoms. There is one shorter (1.93 Å) and two longer (2.00 Å) Fe–C bond length. In the third Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent C atoms. All Fe–C bond lengths are 1.98 Å. C is bonded in a 6-coordinate geometry to six Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-18257

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; Fe7C3; C-Fe

OSTI Identifier:: 1193013

DOI:: https://doi.org/10.17188/1193013

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                    The Materials Project. Materials Data on Fe7C3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193013.

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                    The Materials Project. Materials Data on Fe7C3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193013

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                    The Materials Project. 2020.  
"Materials Data on Fe7C3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193013.  https://www.osti.gov/servlets/purl/1193013. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1193013,

  title        = {Materials Data on Fe7C3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe7C3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent C atoms. Both Fe–C bond lengths are 2.04 Å. In the second Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent C atoms. There is one shorter (1.93 Å) and two longer (2.00 Å) Fe–C bond length. In the third Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent C atoms. All Fe–C bond lengths are 1.98 Å. C is bonded in a 6-coordinate geometry to six Fe atoms.},

  doi          = {10.17188/1193013},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1193013

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