Materials Data on MgGa by Materials Project

doi:10.17188/1717158

Title: Materials Data on MgGa by Materials Project

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Abstract

MgGa crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.95–3.01 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.88–3.12 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to seven Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.89–2.94 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to seven Mg atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six Mg atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to seven Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1094650

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; MgGa; Ga-Mg

OSTI Identifier:: 1717158

DOI:: https://doi.org/10.17188/1717158

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                    The Materials Project. Materials Data on MgGa by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717158.

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                    The Materials Project. Materials Data on MgGa by Materials Project.  United States.  doi:https://doi.org/10.17188/1717158

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                    The Materials Project. 2020.  
"Materials Data on MgGa by Materials Project".  United States.  doi:https://doi.org/10.17188/1717158.  https://www.osti.gov/servlets/purl/1717158. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1717158,

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

  author       = {The Materials Project},

  abstractNote = {MgGa crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.95–3.01 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.88–3.12 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to seven Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.89–2.94 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to seven Mg atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six Mg atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to seven Mg atoms.},

  doi          = {10.17188/1717158},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1717158

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Materials Data on MgGa by Materials Project

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Materials Data on MgGa by Materials Project

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MgGa crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Ga atoms. There are a spread of Mg–Mg bond distances ranging from 2.98–3.22 Å. There are a spread of Mg–Ga bond distances ranging from 2.90–3.14 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four Mg and six Ga atoms. Both Mg–Mg bond lengths are 3.22 Å. There are a spread of Mg–Ga bond distances ranging from 2.88–3.03 Å. Inmore »« less
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MgGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent Ga atoms to form distorted MgMg9Ga3 cuboctahedra that share corners with six equivalent GaGa12 cuboctahedra, corners with twelve equivalent MgMg9Ga3 cuboctahedra, edges with twelve MgMg9Ga3 cuboctahedra, a faceface with one GaGa12 cuboctahedra, and faces with thirteen MgMg9Ga3 cuboctahedra. There are six shorter (3.07 Å) and three longer (3.20 Å) Mg–Mg bond lengths. All Mg–Ga bond lengths are 3.01 Å. In the second Mg site, Mg is bonded tomore »« less

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