Materials Data on Ti3Sn by Materials Project

doi:10.17188/1317447

Title: Materials Data on Ti3Sn by Materials Project

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Abstract

Ti3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four equivalent Ti and four equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing TiTi4Sn4 tetrahedra. All Ti–Ti bond lengths are 2.86 Å. All Ti–Sn bond lengths are 2.86 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Sn atoms. All Ti–Sn bond lengths are 3.31 Å. Sn is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.

Publication Date:: 2020-07-24

Other Number(s):: mp-998982

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; Sn-Ti; Ti3Sn; crystal structure

OSTI Identifier:: 1317447

DOI:: https://doi.org/10.17188/1317447

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                    Materials Data on Ti3Sn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317447.

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                    Materials Data on Ti3Sn by Materials Project.  United States.  doi:https://doi.org/10.17188/1317447

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                    2020.  
"Materials Data on Ti3Sn by Materials Project".  United States.  doi:https://doi.org/10.17188/1317447.  https://www.osti.gov/servlets/purl/1317447. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1317447,

  title        = {Materials Data on Ti3Sn by Materials Project},

  
  abstractNote = {Ti3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four equivalent Ti and four equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing TiTi4Sn4 tetrahedra. All Ti–Ti bond lengths are 2.86 Å. All Ti–Sn bond lengths are 2.86 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Sn atoms. All Ti–Sn bond lengths are 3.31 Å. Sn is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.},

  doi          = {10.17188/1317447},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317447

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