Materials Data on Fe2C by Materials Project

doi:10.17188/1695437

Title: Materials Data on Fe2C by Materials Project

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Abstract

Fe2C crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 3-coordinate geometry to three equivalent C4- atoms. There is two shorter (1.94 Å) and one longer (1.98 Å) Fe–C bond length. In the second Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to four equivalent C4- atoms. There are two shorter (2.06 Å) and two longer (2.17 Å) Fe–C bond lengths. C4- is bonded in a 7-coordinate geometry to seven Fe2+ atoms.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1102779

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; Fe2C; C-Fe

OSTI Identifier:: 1695437

DOI:: https://doi.org/10.17188/1695437

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                    The Materials Project. Materials Data on Fe2C by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1695437.

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                    The Materials Project. Materials Data on Fe2C by Materials Project.  United States.  doi:https://doi.org/10.17188/1695437

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                    The Materials Project. 2018.  
"Materials Data on Fe2C by Materials Project".  United States.  doi:https://doi.org/10.17188/1695437.  https://www.osti.gov/servlets/purl/1695437. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1695437,

  title        = {Materials Data on Fe2C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe2C crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 3-coordinate geometry to three equivalent C4- atoms. There is two shorter (1.94 Å) and one longer (1.98 Å) Fe–C bond length. In the second Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to four equivalent C4- atoms. There are two shorter (2.06 Å) and two longer (2.17 Å) Fe–C bond lengths. C4- is bonded in a 7-coordinate geometry to seven Fe2+ atoms.},

  doi          = {10.17188/1695437},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1695437

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