Materials Data on Ti2Be3Ga by Materials Project

doi:10.17188/1687465

Title: Materials Data on Ti2Be3Ga by Materials Project

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Abstract

Be3Ti2Ga crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Be is bonded to four equivalent Be, six equivalent Ti, and two equivalent Ga atoms to form distorted BeTi6Be4Ga2 cuboctahedra that share corners with four equivalent GaTi6Be6 cuboctahedra, corners with fourteen equivalent BeTi6Be4Ga2 cuboctahedra, edges with six equivalent BeTi6Be4Ga2 cuboctahedra, faces with six equivalent GaTi6Be6 cuboctahedra, and faces with twelve equivalent BeTi6Be4Ga2 cuboctahedra. All Be–Be bond lengths are 2.33 Å. There are four shorter (2.74 Å) and two longer (2.77 Å) Be–Ti bond lengths. Both Be–Ga bond lengths are 2.36 Å. Ti is bonded in a 3-coordinate geometry to nine equivalent Be, four equivalent Ti, and three equivalent Ga atoms. There are three shorter (2.86 Å) and one longer (2.90 Å) Ti–Ti bond lengths. All Ti–Ga bond lengths are 2.73 Å. Ga is bonded to six equivalent Be and six equivalent Ti atoms to form GaTi6Be6 cuboctahedra that share corners with six equivalent GaTi6Be6 cuboctahedra, corners with twelve equivalent BeTi6Be4Ga2 cuboctahedra, edges with six equivalent GaTi6Be6 cuboctahedra, and faces with eighteen equivalent BeTi6Be4Ga2 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1217066

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; Ti2Be3Ga; Be-Ga-Ti

OSTI Identifier:: 1687465

DOI:: https://doi.org/10.17188/1687465

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                    The Materials Project. Materials Data on Ti2Be3Ga by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1687465.

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                    The Materials Project. Materials Data on Ti2Be3Ga by Materials Project.  United States.  doi:https://doi.org/10.17188/1687465

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                    The Materials Project. 2019.  
"Materials Data on Ti2Be3Ga by Materials Project".  United States.  doi:https://doi.org/10.17188/1687465.  https://www.osti.gov/servlets/purl/1687465. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1687465,

  title        = {Materials Data on Ti2Be3Ga by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be3Ti2Ga crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Be is bonded to four equivalent Be, six equivalent Ti, and two equivalent Ga atoms to form distorted BeTi6Be4Ga2 cuboctahedra that share corners with four equivalent GaTi6Be6 cuboctahedra, corners with fourteen equivalent BeTi6Be4Ga2 cuboctahedra, edges with six equivalent BeTi6Be4Ga2 cuboctahedra, faces with six equivalent GaTi6Be6 cuboctahedra, and faces with twelve equivalent BeTi6Be4Ga2 cuboctahedra. All Be–Be bond lengths are 2.33 Å. There are four shorter (2.74 Å) and two longer (2.77 Å) Be–Ti bond lengths. Both Be–Ga bond lengths are 2.36 Å. Ti is bonded in a 3-coordinate geometry to nine equivalent Be, four equivalent Ti, and three equivalent Ga atoms. There are three shorter (2.86 Å) and one longer (2.90 Å) Ti–Ti bond lengths. All Ti–Ga bond lengths are 2.73 Å. Ga is bonded to six equivalent Be and six equivalent Ti atoms to form GaTi6Be6 cuboctahedra that share corners with six equivalent GaTi6Be6 cuboctahedra, corners with twelve equivalent BeTi6Be4Ga2 cuboctahedra, edges with six equivalent GaTi6Be6 cuboctahedra, and faces with eighteen equivalent BeTi6Be4Ga2 cuboctahedra.},

  doi          = {10.17188/1687465},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1687465

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