Materials Data on LiMg by Materials Project

doi:10.17188/1740189

Title: Materials Data on LiMg by Materials Project

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Abstract

LiMg crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li is bonded to nine equivalent Li and three equivalent Mg atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with six equivalent LiLi9Mg3 cuboctahedra, corners with twelve equivalent MgLi3Mg9 cuboctahedra, edges with six equivalent MgLi3Mg9 cuboctahedra, edges with twelve equivalent LiLi9Mg3 cuboctahedra, faces with eight equivalent MgLi3Mg9 cuboctahedra, and faces with twelve equivalent LiLi9Mg3 cuboctahedra. There are three shorter (3.11 Å) and six longer (3.14 Å) Li–Li bond lengths. All Li–Mg bond lengths are 3.10 Å. Mg is bonded to three equivalent Li and nine equivalent Mg atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent MgLi3Mg9 cuboctahedra, corners with twelve equivalent LiLi9Mg3 cuboctahedra, edges with six equivalent LiLi9Mg3 cuboctahedra, edges with twelve equivalent MgLi3Mg9 cuboctahedra, faces with eight equivalent LiLi9Mg3 cuboctahedra, and faces with twelve equivalent MgLi3Mg9 cuboctahedra. There are six shorter (3.14 Å) and three longer (3.18 Å) Mg–Mg bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1094853

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; LiMg; Li-Mg

OSTI Identifier:: 1740189

DOI:: https://doi.org/10.17188/1740189

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                    The Materials Project. Materials Data on LiMg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740189.

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                    The Materials Project. Materials Data on LiMg by Materials Project.  United States.  doi:https://doi.org/10.17188/1740189

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                    The Materials Project. 2020.  
"Materials Data on LiMg by Materials Project".  United States.  doi:https://doi.org/10.17188/1740189.  https://www.osti.gov/servlets/purl/1740189. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1740189,

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

  author       = {The Materials Project},

  abstractNote = {LiMg crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li is bonded to nine equivalent Li and three equivalent Mg atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with six equivalent LiLi9Mg3 cuboctahedra, corners with twelve equivalent MgLi3Mg9 cuboctahedra, edges with six equivalent MgLi3Mg9 cuboctahedra, edges with twelve equivalent LiLi9Mg3 cuboctahedra, faces with eight equivalent MgLi3Mg9 cuboctahedra, and faces with twelve equivalent LiLi9Mg3 cuboctahedra. There are three shorter (3.11 Å) and six longer (3.14 Å) Li–Li bond lengths. All Li–Mg bond lengths are 3.10 Å. Mg is bonded to three equivalent Li and nine equivalent Mg atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent MgLi3Mg9 cuboctahedra, corners with twelve equivalent LiLi9Mg3 cuboctahedra, edges with six equivalent LiLi9Mg3 cuboctahedra, edges with twelve equivalent MgLi3Mg9 cuboctahedra, faces with eight equivalent LiLi9Mg3 cuboctahedra, and faces with twelve equivalent MgLi3Mg9 cuboctahedra. There are six shorter (3.14 Å) and three longer (3.18 Å) Mg–Mg bond lengths.},

  doi          = {10.17188/1740189},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740189

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