Materials Data on LiMg by Materials Project

doi:10.17188/1315071

Title: Materials Data on LiMg by Materials Project

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Abstract

LiMg crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to four Li and four Mg atoms. There are two shorter (2.84 Å) and two longer (2.95 Å) Li–Li bond lengths. There are two shorter (2.99 Å) and two longer (3.03 Å) Li–Mg bond lengths. In the second Li site, Li is bonded in a distorted body-centered cubic geometry to four Li and four Mg atoms. Both Li–Li bond lengths are 2.84 Å. All Li–Mg bond lengths are 2.94 Å. In the third Li site, Li is bonded in a 9-coordinate geometry to four Li and five Mg atoms. There are a spread of Li–Mg bond distances ranging from 2.97–3.25 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four Li atoms. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four Li atoms. In the third Mg site, Mg is bonded in a 4-coordinate geometry to five Li atoms.

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-976262

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Li-Mg; LiMg; crystal structure

OSTI Identifier:: 1315071

DOI:: https://doi.org/10.17188/1315071

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                    Materials Data on LiMg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315071.

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                    Materials Data on LiMg by Materials Project.  United States.  doi:https://doi.org/10.17188/1315071

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                    2020.  
"Materials Data on LiMg by Materials Project".  United States.  doi:https://doi.org/10.17188/1315071.  https://www.osti.gov/servlets/purl/1315071. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1315071,

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

  
  abstractNote = {LiMg crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to four Li and four Mg atoms. There are two shorter (2.84 Å) and two longer (2.95 Å) Li–Li bond lengths. There are two shorter (2.99 Å) and two longer (3.03 Å) Li–Mg bond lengths. In the second Li site, Li is bonded in a distorted body-centered cubic geometry to four Li and four Mg atoms. Both Li–Li bond lengths are 2.84 Å. All Li–Mg bond lengths are 2.94 Å. In the third Li site, Li is bonded in a 9-coordinate geometry to four Li and five Mg atoms. There are a spread of Li–Mg bond distances ranging from 2.97–3.25 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four Li atoms. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four Li atoms. In the third Mg site, Mg is bonded in a 4-coordinate geometry to five Li atoms.},

  doi          = {10.17188/1315071},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1315071

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