Materials Data on Fe3Si by Materials Project

doi:10.17188/1197276

Title: Materials Data on Fe3Si by Materials Project

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Abstract

Fe3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Si atoms. All Fe–Fe bond lengths are 2.43 Å. All Fe–Si bond lengths are 2.43 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Si atoms. All Fe–Si bond lengths are 2.80 Å. Si is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-2199

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; Fe3Si; Fe-Si

OSTI Identifier:: 1197276

DOI:: https://doi.org/10.17188/1197276

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                    The Materials Project. Materials Data on Fe3Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197276.

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                    The Materials Project. Materials Data on Fe3Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1197276

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                    The Materials Project. 2020.  
"Materials Data on Fe3Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1197276.  https://www.osti.gov/servlets/purl/1197276. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1197276,

  title        = {Materials Data on Fe3Si by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Si atoms. All Fe–Fe bond lengths are 2.43 Å. All Fe–Si bond lengths are 2.43 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Si atoms. All Fe–Si bond lengths are 2.80 Å. Si is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms.},

  doi          = {10.17188/1197276},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1197276

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