Materials Data on Fe2Sn by Materials Project

doi:10.17188/1262847

Title: Materials Data on Fe2Sn by Materials Project

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Abstract

Fe2Sn crystallizes in the hexagonal P6_3/mmc 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 eight Fe and six equivalent Sn atoms. There are two shorter (2.63 Å) and six longer (2.87 Å) Fe–Fe bond lengths. All Fe–Sn bond lengths are 2.87 Å. In the second Fe site, Fe is bonded to six equivalent Fe and five equivalent Sn atoms to form a mixture of distorted corner and face-sharing FeFe6Sn5 trigonal bipyramids. There are three shorter (2.55 Å) and two longer (2.63 Å) Fe–Sn bond lengths. Sn is bonded in a 5-coordinate geometry to eleven Fe atoms.

Publication Date:: 2020-08-03

Other Number(s):: mp-510164

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Fe-Sn; Fe2Sn; crystal structure

OSTI Identifier:: 1262847

DOI:: https://doi.org/10.17188/1262847

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                    Materials Data on Fe2Sn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262847.

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                    Materials Data on Fe2Sn by Materials Project.  United States.  doi:https://doi.org/10.17188/1262847

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                    2020.  
"Materials Data on Fe2Sn by Materials Project".  United States.  doi:https://doi.org/10.17188/1262847.  https://www.osti.gov/servlets/purl/1262847. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1262847,

  title        = {Materials Data on Fe2Sn by Materials Project},

  
  abstractNote = {Fe2Sn crystallizes in the hexagonal P6_3/mmc 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 eight Fe and six equivalent Sn atoms. There are two shorter (2.63 Å) and six longer (2.87 Å) Fe–Fe bond lengths. All Fe–Sn bond lengths are 2.87 Å. In the second Fe site, Fe is bonded to six equivalent Fe and five equivalent Sn atoms to form a mixture of distorted corner and face-sharing FeFe6Sn5 trigonal bipyramids. There are three shorter (2.55 Å) and two longer (2.63 Å) Fe–Sn bond lengths. Sn is bonded in a 5-coordinate geometry to eleven Fe atoms.},

  doi          = {10.17188/1262847},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1262847

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