Materials Data on BaMg6Ga by Materials Project

doi:10.17188/1748785

Title: Materials Data on BaMg6Ga by Materials Project

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Abstract

BaMg6Ga crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ba is bonded in a 2-coordinate geometry to eight Mg and two equivalent Ga atoms. There are a spread of Ba–Mg bond distances ranging from 3.48–3.68 Å. Both Ba–Ga bond lengths are 3.38 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to one Ba, two equivalent Mg, and one Ga atom. Both Mg–Mg bond lengths are 3.11 Å. The Mg–Ga bond length is 2.88 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ba, one Mg, and two equivalent Ga atoms. The Mg–Mg bond length is 3.17 Å. Both Mg–Ga bond lengths are 2.97 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ba and eight Mg atoms. Both Mg–Mg bond lengths are 3.26 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg atoms. Ga is bonded in a 8-coordinate geometry to two equivalent Ba and six Mg atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1100167

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; BaMg6Ga; Ba-Ga-Mg

OSTI Identifier:: 1748785

DOI:: https://doi.org/10.17188/1748785

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                    The Materials Project. Materials Data on BaMg6Ga by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748785.

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                    The Materials Project. Materials Data on BaMg6Ga by Materials Project.  United States.  doi:https://doi.org/10.17188/1748785

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                    The Materials Project. 2020.  
"Materials Data on BaMg6Ga by Materials Project".  United States.  doi:https://doi.org/10.17188/1748785.  https://www.osti.gov/servlets/purl/1748785. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1748785,

  title        = {Materials Data on BaMg6Ga by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaMg6Ga crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ba is bonded in a 2-coordinate geometry to eight Mg and two equivalent Ga atoms. There are a spread of Ba–Mg bond distances ranging from 3.48–3.68 Å. Both Ba–Ga bond lengths are 3.38 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to one Ba, two equivalent Mg, and one Ga atom. Both Mg–Mg bond lengths are 3.11 Å. The Mg–Ga bond length is 2.88 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ba, one Mg, and two equivalent Ga atoms. The Mg–Mg bond length is 3.17 Å. Both Mg–Ga bond lengths are 2.97 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ba and eight Mg atoms. Both Mg–Mg bond lengths are 3.26 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg atoms. Ga is bonded in a 8-coordinate geometry to two equivalent Ba and six Mg atoms.},

  doi          = {10.17188/1748785},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1748785

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