Materials Data on LiMg2 by Materials Project

doi:10.17188/1311116

Title: Materials Data on LiMg2 by Materials Project

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Abstract

LiMg2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two LiMg2 sheets oriented in the (1, 0, 0) direction. Li is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. There are four shorter (2.95 Å) and four longer (2.96 Å) Li–Mg bond lengths. Mg is bonded in a 8-coordinate geometry to four equivalent Li atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-865939

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; LiMg2; Li-Mg

OSTI Identifier:: 1311116

DOI:: https://doi.org/10.17188/1311116

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                    The Materials Project. Materials Data on LiMg2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1311116.

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                    The Materials Project. Materials Data on LiMg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1311116

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                    The Materials Project. 2020.  
"Materials Data on LiMg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1311116.  https://www.osti.gov/servlets/purl/1311116. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1311116,

  title        = {Materials Data on LiMg2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiMg2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two LiMg2 sheets oriented in the (1, 0, 0) direction. Li is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. There are four shorter (2.95 Å) and four longer (2.96 Å) Li–Mg bond lengths. Mg is bonded in a 8-coordinate geometry to four equivalent Li atoms.},

  doi          = {10.17188/1311116},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1311116

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Materials Data on LiMg2 by Materials Project

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LiMg2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to two equivalent Li and ten Mg atoms to form distorted LiLi2Mg10 cuboctahedra that share corners with six equivalent LiLi2Mg10 cuboctahedra, corners with twelve MgLi4Mg8 cuboctahedra, edges with eight equivalent LiLi2Mg10 cuboctahedra, edges with ten MgLi4Mg8 cuboctahedra, faces with six equivalent LiLi2Mg10 cuboctahedra, and faces with fourteen MgLi4Mg8 cuboctahedra. Both Li–Li bond lengths are 3.14 Å. There are a spread of Li–Mg bond distances ranging from 3.11–3.14 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalentmore »« less
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Materials Data on LiMg2 by Materials Project

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LiMg2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to two equivalent Li and ten equivalent Mg atoms to form distorted LiLi2Mg10 cuboctahedra that share corners with eighteen equivalent MgLi5Mg7 cuboctahedra, edges with eight equivalent MgLi5Mg7 cuboctahedra, edges with ten equivalent LiLi2Mg10 cuboctahedra, faces with six equivalent LiLi2Mg10 cuboctahedra, and faces with fourteen equivalent MgLi5Mg7 cuboctahedra. Both Li–Li bond lengths are 3.14 Å. There are a spread of Li–Mg bond distances ranging from 3.08–3.16 Å. Mg is bonded to five equivalent Li and seven equivalent Mg atoms to form distorted MgLi5Mg7 cuboctahedra that sharemore »« less
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