Materials Data on Mg16Al12Hg by Materials Project

doi:10.17188/1687847

Title: Materials Data on Mg16Al12Hg by Materials Project

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Abstract

Mg16HgAl12 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.05–3.16 Å. There are a spread of Mg–Al bond distances ranging from 3.07–3.12 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.11–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.99–3.14 Å. In the third Mg site, Mg is bonded in a 1-coordinate geometry to three equivalent Mg, one Hg, and twelve Al atoms. The Mg–Hg bond length is 3.07 Å. There are a spread of Mg–Al bond distances ranging from 3.20–3.24 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to six Mg, one Hg, and five Al atoms. There are two shorter (3.17 Å) and two longer (3.21 Å) Mg–Mg bond lengths. The Mg–Hg bond length is 2.98 Å. There are a spread of Mg–Al bond distances ranging from 2.97–3.25 Å. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1185668

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; Mg16Al12Hg; Al-Hg-Mg

OSTI Identifier:: 1687847

DOI:: https://doi.org/10.17188/1687847

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                    The Materials Project. Materials Data on Mg16Al12Hg by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1687847.

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                    The Materials Project. Materials Data on Mg16Al12Hg by Materials Project.  United States.  doi:https://doi.org/10.17188/1687847

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                    The Materials Project. 2019.  
"Materials Data on Mg16Al12Hg by Materials Project".  United States.  doi:https://doi.org/10.17188/1687847.  https://www.osti.gov/servlets/purl/1687847. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1687847,

  title        = {Materials Data on Mg16Al12Hg by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg16HgAl12 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.05–3.16 Å. There are a spread of Mg–Al bond distances ranging from 3.07–3.12 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.11–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.99–3.14 Å. In the third Mg site, Mg is bonded in a 1-coordinate geometry to three equivalent Mg, one Hg, and twelve Al atoms. The Mg–Hg bond length is 3.07 Å. There are a spread of Mg–Al bond distances ranging from 3.20–3.24 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to six Mg, one Hg, and five Al atoms. There are two shorter (3.17 Å) and two longer (3.21 Å) Mg–Mg bond lengths. The Mg–Hg bond length is 2.98 Å. There are a spread of Mg–Al bond distances ranging from 2.97–3.25 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.23 Å. There are a spread of Mg–Al bond distances ranging from 2.88–3.17 Å. Hg is bonded in a 10-coordinate geometry to four Mg and six equivalent Al atoms. All Hg–Al bond lengths are 3.12 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are one shorter (2.69 Å) and two longer (2.75 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.78 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to seven Mg, one Hg, and three Al atoms. There are one shorter (2.73 Å) and one longer (2.78 Å) Al–Al bond lengths.},

  doi          = {10.17188/1687847},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1687847

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