Materials Data on TiGa2 by Materials Project

doi:10.17188/1276211

Title: Materials Data on TiGa2 by Materials Project

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Abstract

TiGa2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to ten Ga atoms. There are a spread of Ti–Ga bond distances ranging from 2.70–2.87 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Ti and six Ga atoms to form a mixture of distorted edge, face, and corner-sharing GaTi6Ga6 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.66–2.93 Å. In the second Ga site, Ga is bonded to four equivalent Ti and eight Ga atoms to form a mixture of distorted edge, face, and corner-sharing GaTi4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.78 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-571342

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; TiGa2; Ga-Ti

OSTI Identifier:: 1276211

DOI:: https://doi.org/10.17188/1276211

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                    The Materials Project. Materials Data on TiGa2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276211.

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                    The Materials Project. Materials Data on TiGa2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276211

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                    The Materials Project. 2020.  
"Materials Data on TiGa2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276211.  https://www.osti.gov/servlets/purl/1276211. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1276211,

  title        = {Materials Data on TiGa2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TiGa2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to ten Ga atoms. There are a spread of Ti–Ga bond distances ranging from 2.70–2.87 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Ti and six Ga atoms to form a mixture of distorted edge, face, and corner-sharing GaTi6Ga6 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.66–2.93 Å. In the second Ga site, Ga is bonded to four equivalent Ti and eight Ga atoms to form a mixture of distorted edge, face, and corner-sharing GaTi4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.78 Å.},

  doi          = {10.17188/1276211},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1276211

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