Materials Data on Ba(AlGa)2 by Materials Project

doi:10.17188/1685083

Title: Materials Data on Ba(AlGa)2 by Materials Project

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Abstract

Ba(GaAl)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Ga and eight equivalent Al atoms. All Ba–Ga bond lengths are 3.49 Å. All Ba–Al bond lengths are 3.62 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Ba, one Ga, and four equivalent Al atoms. The Ga–Ga bond length is 2.75 Å. All Ga–Al bond lengths are 2.69 Å. Al is bonded to four equivalent Ba and four equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing AlBa4Ga4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1207061

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; Ba(AlGa)2; Al-Ba-Ga

OSTI Identifier:: 1685083

DOI:: https://doi.org/10.17188/1685083

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                    The Materials Project. Materials Data on Ba(AlGa)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685083.

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                    The Materials Project. Materials Data on Ba(AlGa)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685083

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                    The Materials Project. 2020.  
"Materials Data on Ba(AlGa)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685083.  https://www.osti.gov/servlets/purl/1685083. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1685083,

  title        = {Materials Data on Ba(AlGa)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba(GaAl)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Ga and eight equivalent Al atoms. All Ba–Ga bond lengths are 3.49 Å. All Ba–Al bond lengths are 3.62 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Ba, one Ga, and four equivalent Al atoms. The Ga–Ga bond length is 2.75 Å. All Ga–Al bond lengths are 2.69 Å. Al is bonded to four equivalent Ba and four equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing AlBa4Ga4 tetrahedra.},

  doi          = {10.17188/1685083},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685083

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