Materials Data on Fe3Si by Materials Project

doi:10.17188/1745975

Title: Materials Data on Fe3Si by Materials Project

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Abstract

Fe3Si crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to four equivalent Fe and four equivalent Si atoms. All Fe–Fe bond lengths are 2.46 Å. All Fe–Si bond lengths are 2.41 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to twelve Fe and two equivalent Si atoms. All Fe–Fe bond lengths are 2.84 Å. Both Fe–Si bond lengths are 2.75 Å. Si is bonded in a distorted body-centered cubic geometry to ten Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1225210

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:: 1745975

DOI:: https://doi.org/10.17188/1745975

Citation Formats


                    The Materials Project. Materials Data on Fe3Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745975.

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                    The Materials Project. Materials Data on Fe3Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1745975

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                    The Materials Project. 2020.  
"Materials Data on Fe3Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1745975.  https://www.osti.gov/servlets/purl/1745975. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1745975,

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

  author       = {The Materials Project},

  abstractNote = {Fe3Si crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to four equivalent Fe and four equivalent Si atoms. All Fe–Fe bond lengths are 2.46 Å. All Fe–Si bond lengths are 2.41 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to twelve Fe and two equivalent Si atoms. All Fe–Fe bond lengths are 2.84 Å. Both Fe–Si bond lengths are 2.75 Å. Si is bonded in a distorted body-centered cubic geometry to ten Fe atoms.},

  doi          = {10.17188/1745975},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1745975

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