Materials Data on Ti2GaFe by Materials Project

doi:10.17188/1317459

Title: Materials Data on Ti2GaFe by Materials Project

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Abstract

Ti2FeGa is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, six equivalent Fe, and four equivalent Ga atoms. All Ti–Ti bond lengths are 2.65 Å. All Ti–Fe bond lengths are 3.06 Å. All Ti–Ga bond lengths are 2.65 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Fe, and six equivalent Ga atoms. All Ti–Fe bond lengths are 2.65 Å. All Ti–Ga bond lengths are 3.06 Å. Fe is bonded in a 8-coordinate geometry to ten Ti and four equivalent Ga atoms. All Fe–Ga bond lengths are 2.65 Å. Ga is bonded in a 8-coordinate geometry to ten Ti and four equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-999059

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; Ti2GaFe; Fe-Ga-Ti

OSTI Identifier:: 1317459

DOI:: https://doi.org/10.17188/1317459

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                    The Materials Project. Materials Data on Ti2GaFe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317459.

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                    The Materials Project. Materials Data on Ti2GaFe by Materials Project.  United States.  doi:https://doi.org/10.17188/1317459

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                    The Materials Project. 2020.  
"Materials Data on Ti2GaFe by Materials Project".  United States.  doi:https://doi.org/10.17188/1317459.  https://www.osti.gov/servlets/purl/1317459. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1317459,

  title        = {Materials Data on Ti2GaFe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2FeGa is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, six equivalent Fe, and four equivalent Ga atoms. All Ti–Ti bond lengths are 2.65 Å. All Ti–Fe bond lengths are 3.06 Å. All Ti–Ga bond lengths are 2.65 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Fe, and six equivalent Ga atoms. All Ti–Fe bond lengths are 2.65 Å. All Ti–Ga bond lengths are 3.06 Å. Fe is bonded in a 8-coordinate geometry to ten Ti and four equivalent Ga atoms. All Fe–Ga bond lengths are 2.65 Å. Ga is bonded in a 8-coordinate geometry to ten Ti and four equivalent Fe atoms.},

  doi          = {10.17188/1317459},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317459

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