Materials Data on MgGa2 by Materials Project

doi:10.17188/1693065

Title: Materials Data on MgGa2 by Materials Project

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Abstract

MgGa2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to five equivalent Mg and seven Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgMg5Ga7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.92–3.19 Å. There are a spread of Mg–Ga bond distances ranging from 3.00–3.07 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Mg and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.88–3.01 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Mg and six Ga atoms. The Ga–Ga bond length is 2.85 Å.

Publication Date:: 2020-05-03

Other Number(s):: mp-1094646

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; MgGa2; crystal structure

OSTI Identifier:: 1693065

DOI:: https://doi.org/10.17188/1693065

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                    Materials Data on MgGa2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1693065.

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                    Materials Data on MgGa2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1693065

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                    2020.  
"Materials Data on MgGa2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1693065.  https://www.osti.gov/servlets/purl/1693065. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1693065,

  title        = {Materials Data on MgGa2 by Materials Project},

  
  abstractNote = {MgGa2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to five equivalent Mg and seven Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgMg5Ga7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.92–3.19 Å. There are a spread of Mg–Ga bond distances ranging from 3.00–3.07 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Mg and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.88–3.01 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Mg and six Ga atoms. The Ga–Ga bond length is 2.85 Å.},

  doi          = {10.17188/1693065},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1693065

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Materials Data on MgGa2 by Materials Project

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