Materials Data on MgGa3 by Materials Project

doi:10.17188/1685745

Title: Materials Data on MgGa3 by Materials Project

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Abstract

MgGa3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.91–3.06 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted water-like geometry to two equivalent Mg and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.92 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mg and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.85 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mg and six Ga atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1094950

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; MgGa3; Ga-Mg

OSTI Identifier:: 1685745

DOI:: https://doi.org/10.17188/1685745

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                    The Materials Project. Materials Data on MgGa3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685745.

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                    The Materials Project. Materials Data on MgGa3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685745

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                    The Materials Project. 2020.  
"Materials Data on MgGa3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685745.  https://www.osti.gov/servlets/purl/1685745. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1685745,

  title        = {Materials Data on MgGa3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgGa3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.91–3.06 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted water-like geometry to two equivalent Mg and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.92 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mg and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.85 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mg and six Ga atoms.},

  doi          = {10.17188/1685745},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685745

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