Materials Data on Ti10(GaSb)3 by Materials Project

doi:10.17188/1727148

Title: Materials Data on Ti10(GaSb)3 by Materials Project

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Abstract

Ti10(GaSb)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Ti, three equivalent Ga, and three equivalent Sb atoms. There are one shorter (2.56 Å) and one longer (2.76 Å) Ti–Ti bond lengths. All Ti–Ga bond lengths are 2.75 Å. All Ti–Sb bond lengths are 2.78 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to three equivalent Ga and two equivalent Sb atoms. There are two shorter (2.67 Å) and one longer (2.87 Å) Ti–Ga bond lengths. Both Ti–Sb bond lengths are 2.90 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to two equivalent Ga and three equivalent Sb atoms. Both Ti–Ga bond lengths are 2.89 Å. There are two shorter (2.71 Å) and one longer (2.85 Å) Ti–Sb bond lengths. Ga is bonded in a 11-coordinate geometry to nine Ti atoms. Sb is bonded in a 9-coordinate geometry to nine Ti atoms.

Publication Date:: 2020-04-29

Other Number(s):: mp-1217250

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; Ga-Sb-Ti; Ti10(GaSb)3; crystal structure

OSTI Identifier:: 1727148

DOI:: https://doi.org/10.17188/1727148

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                    Materials Data on Ti10(GaSb)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1727148.

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                    Materials Data on Ti10(GaSb)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727148

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                    2020.  
"Materials Data on Ti10(GaSb)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727148.  https://www.osti.gov/servlets/purl/1727148. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1727148,

  title        = {Materials Data on Ti10(GaSb)3 by Materials Project},

  
  abstractNote = {Ti10(GaSb)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Ti, three equivalent Ga, and three equivalent Sb atoms. There are one shorter (2.56 Å) and one longer (2.76 Å) Ti–Ti bond lengths. All Ti–Ga bond lengths are 2.75 Å. All Ti–Sb bond lengths are 2.78 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to three equivalent Ga and two equivalent Sb atoms. There are two shorter (2.67 Å) and one longer (2.87 Å) Ti–Ga bond lengths. Both Ti–Sb bond lengths are 2.90 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to two equivalent Ga and three equivalent Sb atoms. Both Ti–Ga bond lengths are 2.89 Å. There are two shorter (2.71 Å) and one longer (2.85 Å) Ti–Sb bond lengths. Ga is bonded in a 11-coordinate geometry to nine Ti atoms. Sb is bonded in a 9-coordinate geometry to nine Ti atoms.},

  doi          = {10.17188/1727148},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1727148

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