Materials Data on MgGa by Materials Project

doi:10.17188/1689768

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 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. In the third Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Ga atoms. Both Mg–Mg bond lengths are 3.22 Å. There are four shorter (3.00 Å) and one longer (3.03 Å) Mg–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to five Mg and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.89 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to five Mg atoms. In the third Ga site, Ga is bonded in a 6-coordinate geometrymore » to six Mg and two equivalent Ga atoms.« less

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1094667

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:: 1689768

DOI:: https://doi.org/10.17188/1689768

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                    The Materials Project. Materials Data on MgGa by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689768.

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                    The Materials Project. Materials Data on MgGa by Materials Project.  United States.  doi:https://doi.org/10.17188/1689768

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                    The Materials Project. 2020.  
"Materials Data on MgGa by Materials Project".  United States.  doi:https://doi.org/10.17188/1689768.  https://www.osti.gov/servlets/purl/1689768. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1689768,

  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 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. In the third Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Ga atoms. Both Mg–Mg bond lengths are 3.22 Å. There are four shorter (3.00 Å) and one longer (3.03 Å) Mg–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to five Mg and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.89 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to five Mg atoms. In the third Ga site, Ga is bonded in a 6-coordinate geometry to six Mg and two equivalent Ga atoms.},

  doi          = {10.17188/1689768},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1689768

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