Materials Data on Mg6GaB by Materials Project

doi:10.17188/1681419

Title: Materials Data on Mg6GaB by Materials Project

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Abstract

Mg6GaB crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to two equivalent Ga and one B atom. Both Mg–Ga bond lengths are 2.77 Å. The Mg–B bond length is 2.51 Å. In the second Mg site, Mg is bonded in a distorted L-shaped geometry to two equivalent Ga atoms. Both Mg–Ga bond lengths are 2.83 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ga and two equivalent B atoms. There are one shorter (3.17 Å) and one longer (3.27 Å) Mg–Ga bond lengths. Both Mg–B bond lengths are 2.72 Å. In the fourth Mg site, Mg is bonded in a water-like geometry to two equivalent B atoms. Both Mg–B bond lengths are 2.46 Å. Ga is bonded in a 10-coordinate geometry to ten Mg atoms. B is bonded in a 8-coordinate geometry to eight Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1017241

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; Mg6GaB; B-Ga-Mg

OSTI Identifier:: 1681419

DOI:: https://doi.org/10.17188/1681419

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                    The Materials Project. Materials Data on Mg6GaB by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681419.

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                    The Materials Project. Materials Data on Mg6GaB by Materials Project.  United States.  doi:https://doi.org/10.17188/1681419

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                    The Materials Project. 2020.  
"Materials Data on Mg6GaB by Materials Project".  United States.  doi:https://doi.org/10.17188/1681419.  https://www.osti.gov/servlets/purl/1681419. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1681419,

  title        = {Materials Data on Mg6GaB by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg6GaB crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to two equivalent Ga and one B atom. Both Mg–Ga bond lengths are 2.77 Å. The Mg–B bond length is 2.51 Å. In the second Mg site, Mg is bonded in a distorted L-shaped geometry to two equivalent Ga atoms. Both Mg–Ga bond lengths are 2.83 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ga and two equivalent B atoms. There are one shorter (3.17 Å) and one longer (3.27 Å) Mg–Ga bond lengths. Both Mg–B bond lengths are 2.72 Å. In the fourth Mg site, Mg is bonded in a water-like geometry to two equivalent B atoms. Both Mg–B bond lengths are 2.46 Å. Ga is bonded in a 10-coordinate geometry to ten Mg atoms. B is bonded in a 8-coordinate geometry to eight Mg atoms.},

  doi          = {10.17188/1681419},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1681419

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