Materials Data on LiMg3O4 by Materials Project

doi:10.17188/1721919

Title: Materials Data on LiMg3O4 by Materials Project

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Abstract

LiMg3O4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and edges with twelve equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.11 Å. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.11 Å. There are four inequivalent O sites. In the first O site, O is bonded to two equivalent Li and four equivalent Mg atoms to form OLi2Mg4 octahedra that share corners with six equivalent OLi2Mg4 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Mg bond lengths are 2.11 Å. In the second O site, O is bonded to six equivalent Mg atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve OLi2Mg4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O site,more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1099259

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; LiMg3O4; Li-Mg-O

OSTI Identifier:: 1721919

DOI:: https://doi.org/10.17188/1721919

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                    The Materials Project. Materials Data on LiMg3O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721919.

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                    The Materials Project. Materials Data on LiMg3O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721919

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                    The Materials Project. 2020.  
"Materials Data on LiMg3O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721919.  https://www.osti.gov/servlets/purl/1721919. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1721919,

  title        = {Materials Data on LiMg3O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiMg3O4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and edges with twelve equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.11 Å. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.11 Å. There are four inequivalent O sites. In the first O site, O is bonded to two equivalent Li and four equivalent Mg atoms to form OLi2Mg4 octahedra that share corners with six equivalent OLi2Mg4 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Mg bond lengths are 2.11 Å. In the second O site, O is bonded to six equivalent Mg atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve OLi2Mg4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O site, O is bonded to two equivalent Li and four equivalent Mg atoms to form a mixture of corner and edge-sharing OLi2Mg4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O site, O is bonded to two equivalent Li and four equivalent Mg atoms to form a mixture of corner and edge-sharing OLi2Mg4 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1721919},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1721919

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