Materials Data on Ca(AlGa)2 by Materials Project

doi:10.17188/1313518

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

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Abstract

Ca(GaAl)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ga and eight equivalent Al atoms. All Ca–Ga bond lengths are 3.28 Å. All Ca–Al bond lengths are 3.49 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Ca, one Ga, and four equivalent Al atoms. The Ga–Ga bond length is 2.49 Å. All Ga–Al bond lengths are 2.62 Å. Al is bonded to four equivalent Ca and four equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing AlCa4Ga4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-9690

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

OSTI Identifier:: 1313518

DOI:: https://doi.org/10.17188/1313518

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                    The Materials Project. Materials Data on Ca(AlGa)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313518.

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                    The Materials Project. Materials Data on Ca(AlGa)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313518

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                    The Materials Project. 2020.  
"Materials Data on Ca(AlGa)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313518.  https://www.osti.gov/servlets/purl/1313518. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1313518,

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

  author       = {The Materials Project},

  abstractNote = {Ca(GaAl)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ga and eight equivalent Al atoms. All Ca–Ga bond lengths are 3.28 Å. All Ca–Al bond lengths are 3.49 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Ca, one Ga, and four equivalent Al atoms. The Ga–Ga bond length is 2.49 Å. All Ga–Al bond lengths are 2.62 Å. Al is bonded to four equivalent Ca and four equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing AlCa4Ga4 tetrahedra.},

  doi          = {10.17188/1313518},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1313518

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