Materials Data on Fe3Sn by Materials Project

doi:10.17188/1698645

Title: Materials Data on Fe3Sn by Materials Project

Dataset

Abstract

Fe3Sn 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 9-coordinate geometry to five Fe and four equivalent Sn atoms. There are one shorter (2.42 Å) and four longer (2.56 Å) Fe–Fe bond lengths. All Fe–Sn bond lengths are 2.77 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to eight equivalent Fe and two equivalent Sn atoms. Both Fe–Sn bond lengths are 2.82 Å. Sn is bonded in a 10-coordinate geometry to ten Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1225154

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; Fe3Sn; Fe-Sn

OSTI Identifier:: 1698645

DOI:: https://doi.org/10.17188/1698645

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                    The Materials Project. Materials Data on Fe3Sn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698645.

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                    The Materials Project. Materials Data on Fe3Sn by Materials Project.  United States.  doi:https://doi.org/10.17188/1698645

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                    The Materials Project. 2020.  
"Materials Data on Fe3Sn by Materials Project".  United States.  doi:https://doi.org/10.17188/1698645.  https://www.osti.gov/servlets/purl/1698645. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1698645,

  title        = {Materials Data on Fe3Sn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe3Sn 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 9-coordinate geometry to five Fe and four equivalent Sn atoms. There are one shorter (2.42 Å) and four longer (2.56 Å) Fe–Fe bond lengths. All Fe–Sn bond lengths are 2.77 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to eight equivalent Fe and two equivalent Sn atoms. Both Fe–Sn bond lengths are 2.82 Å. Sn is bonded in a 10-coordinate geometry to ten Fe atoms.},

  doi          = {10.17188/1698645},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1698645

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