Materials Data on Ti10FeSb5 by Materials Project

doi:10.17188/1653775

Title: Materials Data on Ti10FeSb5 by Materials Project

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Abstract

Ti10FeSb5 crystallizes in the tetragonal I422 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 one Fe and five Sb atoms. The Ti–Fe bond length is 2.71 Å. There are a spread of Ti–Sb bond distances ranging from 2.76–3.09 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 2.61 Å. All Ti–Sb bond lengths are 2.76 Å. Fe is bonded in a distorted q6 geometry to eight equivalent Ti and two equivalent Sb atoms. Both Fe–Sb bond lengths are 2.61 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to ten Ti atoms. In the second Sb site, Sb is bonded in a distorted q6 geometry to eight equivalent Ti and two equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1217288

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; Ti10FeSb5; Fe-Sb-Ti

OSTI Identifier:: 1653775

DOI:: https://doi.org/10.17188/1653775

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                    The Materials Project. Materials Data on Ti10FeSb5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1653775.

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                    The Materials Project. Materials Data on Ti10FeSb5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653775

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                    The Materials Project. 2019.  
"Materials Data on Ti10FeSb5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653775.  https://www.osti.gov/servlets/purl/1653775. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1653775,

  title        = {Materials Data on Ti10FeSb5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti10FeSb5 crystallizes in the tetragonal I422 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 one Fe and five Sb atoms. The Ti–Fe bond length is 2.71 Å. There are a spread of Ti–Sb bond distances ranging from 2.76–3.09 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 2.61 Å. All Ti–Sb bond lengths are 2.76 Å. Fe is bonded in a distorted q6 geometry to eight equivalent Ti and two equivalent Sb atoms. Both Fe–Sb bond lengths are 2.61 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to ten Ti atoms. In the second Sb site, Sb is bonded in a distorted q6 geometry to eight equivalent Ti and two equivalent Fe atoms.},

  doi          = {10.17188/1653775},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1653775

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