Materials Data on TiFeSn by Materials Project

doi:10.17188/1198806

Title: Materials Data on TiFeSn by Materials Project

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Abstract

FeTiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Sn atoms. All Ti–Fe bond lengths are 2.70 Å. All Ti–Sn bond lengths are 2.70 Å. Fe is bonded to four equivalent Ti and six equivalent Sn atoms to form distorted FeTi4Sn6 tetrahedra that share corners with four equivalent SnTi4Fe6 tetrahedra, corners with six equivalent FeTi4Sn6 tetrahedra, edges with six equivalent SnTi4Fe6 tetrahedra, and faces with twelve equivalent FeTi4Sn6 tetrahedra. All Fe–Sn bond lengths are 3.11 Å. Sn is bonded to four equivalent Ti and six equivalent Fe atoms to form distorted SnTi4Fe6 tetrahedra that share corners with four equivalent FeTi4Sn6 tetrahedra, corners with six equivalent SnTi4Fe6 tetrahedra, edges with six equivalent FeTi4Sn6 tetrahedra, and faces with twelve equivalent SnTi4Fe6 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-22589

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; TiFeSn; Fe-Sn-Ti

OSTI Identifier:: 1198806

DOI:: https://doi.org/10.17188/1198806

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                    The Materials Project. Materials Data on TiFeSn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198806.

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                    The Materials Project. Materials Data on TiFeSn by Materials Project.  United States.  doi:https://doi.org/10.17188/1198806

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                    The Materials Project. 2020.  
"Materials Data on TiFeSn by Materials Project".  United States.  doi:https://doi.org/10.17188/1198806.  https://www.osti.gov/servlets/purl/1198806. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1198806,

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

  author       = {The Materials Project},

  abstractNote = {FeTiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Sn atoms. All Ti–Fe bond lengths are 2.70 Å. All Ti–Sn bond lengths are 2.70 Å. Fe is bonded to four equivalent Ti and six equivalent Sn atoms to form distorted FeTi4Sn6 tetrahedra that share corners with four equivalent SnTi4Fe6 tetrahedra, corners with six equivalent FeTi4Sn6 tetrahedra, edges with six equivalent SnTi4Fe6 tetrahedra, and faces with twelve equivalent FeTi4Sn6 tetrahedra. All Fe–Sn bond lengths are 3.11 Å. Sn is bonded to four equivalent Ti and six equivalent Fe atoms to form distorted SnTi4Fe6 tetrahedra that share corners with four equivalent FeTi4Sn6 tetrahedra, corners with six equivalent SnTi4Fe6 tetrahedra, edges with six equivalent FeTi4Sn6 tetrahedra, and faces with twelve equivalent SnTi4Fe6 tetrahedra.},

  doi          = {10.17188/1198806},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1198806

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