Materials Data on Fe3SnSb by Materials Project

doi:10.17188/1711478

Title: Materials Data on Fe3SnSb by Materials Project

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Abstract

Fe3SnSb crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to three equivalent Fe, two equivalent Sn, and three equivalent Sb atoms. All Fe–Fe bond lengths are 2.59 Å. There are one shorter (2.61 Å) and one longer (2.79 Å) Fe–Sn bond lengths. All Fe–Sb bond lengths are 2.58 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to three equivalent Fe, three equivalent Sn, and two equivalent Sb atoms. All Fe–Fe bond lengths are 2.57 Å. All Fe–Sn bond lengths are 2.59 Å. There are one shorter (2.58 Å) and one longer (2.82 Å) Fe–Sb bond lengths. In the third Fe site, Fe is bonded to six Fe, three equivalent Sn, and three equivalent Sb atoms to form face-sharing FeFe6Sn3Sb3 cuboctahedra. All Fe–Sn bond lengths are 2.98 Å. All Fe–Sb bond lengths are 2.99 Å. Sn is bonded in a 11-coordinate geometry to eight Fe and three equivalent Sb atoms. All Sn–Sb bond lengths are 3.11 Å. Sb is bonded in a 11-coordinate geometry to eight Fe and three equivalent Snmore » atoms.« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1225284

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; Fe3SnSb; Fe-Sb-Sn

OSTI Identifier:: 1711478

DOI:: https://doi.org/10.17188/1711478

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                    The Materials Project. Materials Data on Fe3SnSb by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1711478.

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                    The Materials Project. Materials Data on Fe3SnSb by Materials Project.  United States.  doi:https://doi.org/10.17188/1711478

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                    The Materials Project. 2019.  
"Materials Data on Fe3SnSb by Materials Project".  United States.  doi:https://doi.org/10.17188/1711478.  https://www.osti.gov/servlets/purl/1711478. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1711478,

  title        = {Materials Data on Fe3SnSb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe3SnSb crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to three equivalent Fe, two equivalent Sn, and three equivalent Sb atoms. All Fe–Fe bond lengths are 2.59 Å. There are one shorter (2.61 Å) and one longer (2.79 Å) Fe–Sn bond lengths. All Fe–Sb bond lengths are 2.58 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to three equivalent Fe, three equivalent Sn, and two equivalent Sb atoms. All Fe–Fe bond lengths are 2.57 Å. All Fe–Sn bond lengths are 2.59 Å. There are one shorter (2.58 Å) and one longer (2.82 Å) Fe–Sb bond lengths. In the third Fe site, Fe is bonded to six Fe, three equivalent Sn, and three equivalent Sb atoms to form face-sharing FeFe6Sn3Sb3 cuboctahedra. All Fe–Sn bond lengths are 2.98 Å. All Fe–Sb bond lengths are 2.99 Å. Sn is bonded in a 11-coordinate geometry to eight Fe and three equivalent Sb atoms. All Sn–Sb bond lengths are 3.11 Å. Sb is bonded in a 11-coordinate geometry to eight Fe and three equivalent Sn atoms.},

  doi          = {10.17188/1711478},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1711478

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