Materials Data on MgGa2 by Materials Project

doi:10.17188/1716913

Title: Materials Data on MgGa2 by Materials Project

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Abstract

MgGa2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.87–3.06 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.85–3.01 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mg and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.83–3.04 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mg and six Ga atoms. All Ga–Ga bond lengths are 2.93 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Mg and four Ga atoms. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to four Mg and six Ga atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1094622

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; MgGa2; Ga-Mg

OSTI Identifier:: 1716913

DOI:: https://doi.org/10.17188/1716913

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                    The Materials Project. Materials Data on MgGa2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1716913.

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                    The Materials Project. Materials Data on MgGa2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1716913

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                    The Materials Project. 2020.  
"Materials Data on MgGa2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1716913.  https://www.osti.gov/servlets/purl/1716913. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1716913,

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

  author       = {The Materials Project},

  abstractNote = {MgGa2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.87–3.06 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.85–3.01 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mg and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.83–3.04 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mg and six Ga atoms. All Ga–Ga bond lengths are 2.93 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Mg and four Ga atoms. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to four Mg and six Ga atoms.},

  doi          = {10.17188/1716913},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1716913

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Materials Data on MgGa2 by Materials Project

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MgGa2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to twelve equivalent Ga atoms. There are six shorter (2.87 Å) and six longer (3.29 Å) Mg–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Mg and four equivalent Ga atoms. There are three shorter (2.61 Å) and one longer (2.81 Å) Ga–Ga bond lengths.
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MgGa2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.83–3.18 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to nine Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.86–3.23 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to four equivalent Mg and five Ga atoms.more »« less
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Materials Data on MgGa2 by Materials Project

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MgGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten equivalent Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.86–3.10 Å. Ga is bonded in a 2-coordinate geometry to five equivalent Mg and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.82 Å.
Materials Data on MgGa2 by Materials Project

Dataset The Materials Project

MgGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.90–3.02 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Mg and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.80 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg and two equivalent Ga atoms.

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