Materials Data on MgGa5 by Materials Project

doi:10.17188/1716463

Title: Materials Data on MgGa5 by Materials Project

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Abstract

MgGa5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one MgGa5 sheet oriented in the (0, 0, 1) direction. Mg is bonded to ten Ga atoms to form a mixture of distorted corner and face-sharing MgGa10 cuboctahedra. There are a spread of Mg–Ga bond distances ranging from 2.95–3.04 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Mg atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg atoms. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to one Mg atom. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1094662

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ga-Mg; MgGa5; crystal structure

OSTI Identifier:: 1716463

DOI:: https://doi.org/10.17188/1716463

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                    Materials Data on MgGa5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1716463.

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                    Materials Data on MgGa5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1716463

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                    2020.  
"Materials Data on MgGa5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1716463.  https://www.osti.gov/servlets/purl/1716463. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1716463,

  title        = {Materials Data on MgGa5 by Materials Project},

  
  abstractNote = {MgGa5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one MgGa5 sheet oriented in the (0, 0, 1) direction. Mg is bonded to ten Ga atoms to form a mixture of distorted corner and face-sharing MgGa10 cuboctahedra. There are a spread of Mg–Ga bond distances ranging from 2.95–3.04 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Mg atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg atoms. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to one Mg atom. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg atoms.},

  doi          = {10.17188/1716463},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1716463

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