Materials Data on Ti5FeSb2 by Materials Project

doi:10.17188/1204744

Title: Materials Data on Ti5FeSb2 by Materials Project

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Abstract

Ti5FeSb2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Fe and four equivalent Sb atoms. Both Ti–Fe bond lengths are 2.55 Å. There are a spread of Ti–Sb bond distances ranging from 2.81–3.11 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sb atoms. Both Ti–Ti bond lengths are 2.57 Å. All Ti–Sb bond lengths are 2.75 Å. Fe is bonded in a 10-coordinate geometry to eight equivalent Ti and two equivalent Fe atoms. Both Fe–Fe bond lengths are 2.57 Å. Sb is bonded in a 10-coordinate geometry to ten Ti atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-30326

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; Ti5FeSb2; Fe-Sb-Ti

OSTI Identifier:: 1204744

DOI:: https://doi.org/10.17188/1204744

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                    The Materials Project. Materials Data on Ti5FeSb2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204744.

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                    The Materials Project. Materials Data on Ti5FeSb2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204744

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                    The Materials Project. 2020.  
"Materials Data on Ti5FeSb2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204744.  https://www.osti.gov/servlets/purl/1204744. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1204744,

  title        = {Materials Data on Ti5FeSb2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti5FeSb2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Fe and four equivalent Sb atoms. Both Ti–Fe bond lengths are 2.55 Å. There are a spread of Ti–Sb bond distances ranging from 2.81–3.11 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sb atoms. Both Ti–Ti bond lengths are 2.57 Å. All Ti–Sb bond lengths are 2.75 Å. Fe is bonded in a 10-coordinate geometry to eight equivalent Ti and two equivalent Fe atoms. Both Fe–Fe bond lengths are 2.57 Å. Sb is bonded in a 10-coordinate geometry to ten Ti atoms.},

  doi          = {10.17188/1204744},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204744

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