Materials Data on Li(Mg4Al3)4 by Materials Project

doi:10.17188/1314380

Title: Materials Data on Li(Mg4Al3)4 by Materials Project

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Abstract

Li(Mg4Al3)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Li–Mg bond lengths are 3.08 Å. All Li–Al bond lengths are 3.21 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.16 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to one Li, three equivalent Mg, and six equivalent Al atoms. All Mg–Al bond lengths are 3.07 Å. Al is bonded in a 11-coordinate geometry to one Li, seven Mg, and three equivalent Al atoms. There are one shorter (2.70 Å) and two longer (2.77 Å) Al–Al bond lengths.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-973970

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; Li(Mg4Al3)4; Al-Li-Mg

OSTI Identifier:: 1314380

DOI:: https://doi.org/10.17188/1314380

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                    The Materials Project. Materials Data on Li(Mg4Al3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314380.

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                    The Materials Project. Materials Data on Li(Mg4Al3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314380

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                    The Materials Project. 2020.  
"Materials Data on Li(Mg4Al3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314380.  https://www.osti.gov/servlets/purl/1314380. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1314380,

  title        = {Materials Data on Li(Mg4Al3)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li(Mg4Al3)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Li–Mg bond lengths are 3.08 Å. All Li–Al bond lengths are 3.21 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.16 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to one Li, three equivalent Mg, and six equivalent Al atoms. All Mg–Al bond lengths are 3.07 Å. Al is bonded in a 11-coordinate geometry to one Li, seven Mg, and three equivalent Al atoms. There are one shorter (2.70 Å) and two longer (2.77 Å) Al–Al bond lengths.},

  doi          = {10.17188/1314380},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314380

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