Materials Data on Ti3Ga by Materials Project

doi:10.17188/1205044

Title: Materials Data on Ti3Ga by Materials Project

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Abstract

Ti3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ga atoms to form TiTi8Ga4 cuboctahedra that share corners with four equivalent GaTi12 cuboctahedra, corners with fourteen equivalent TiTi8Ga4 cuboctahedra, edges with six equivalent GaTi12 cuboctahedra, edges with twelve equivalent TiTi8Ga4 cuboctahedra, faces with four equivalent GaTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Ga4 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.80–2.90 Å. There are two shorter (2.83 Å) and two longer (2.85 Å) Ti–Ga bond lengths. Ga is bonded to twelve equivalent Ti atoms to form GaTi12 cuboctahedra that share corners with six equivalent GaTi12 cuboctahedra, corners with twelve equivalent TiTi8Ga4 cuboctahedra, edges with eighteen equivalent TiTi8Ga4 cuboctahedra, faces with eight equivalent GaTi12 cuboctahedra, and faces with twelve equivalent TiTi8Ga4 cuboctahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-30672

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; Ti3Ga; Ga-Ti

OSTI Identifier:: 1205044

DOI:: https://doi.org/10.17188/1205044

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                    The Materials Project. Materials Data on Ti3Ga by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205044.

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                    The Materials Project. Materials Data on Ti3Ga by Materials Project.  United States.  doi:https://doi.org/10.17188/1205044

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                    The Materials Project. 2020.  
"Materials Data on Ti3Ga by Materials Project".  United States.  doi:https://doi.org/10.17188/1205044.  https://www.osti.gov/servlets/purl/1205044. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1205044,

  title        = {Materials Data on Ti3Ga by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ga atoms to form TiTi8Ga4 cuboctahedra that share corners with four equivalent GaTi12 cuboctahedra, corners with fourteen equivalent TiTi8Ga4 cuboctahedra, edges with six equivalent GaTi12 cuboctahedra, edges with twelve equivalent TiTi8Ga4 cuboctahedra, faces with four equivalent GaTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Ga4 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.80–2.90 Å. There are two shorter (2.83 Å) and two longer (2.85 Å) Ti–Ga bond lengths. Ga is bonded to twelve equivalent Ti atoms to form GaTi12 cuboctahedra that share corners with six equivalent GaTi12 cuboctahedra, corners with twelve equivalent TiTi8Ga4 cuboctahedra, edges with eighteen equivalent TiTi8Ga4 cuboctahedra, faces with eight equivalent GaTi12 cuboctahedra, and faces with twelve equivalent TiTi8Ga4 cuboctahedra.},

  doi          = {10.17188/1205044},

  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/10.17188/1205044

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