U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3Mg by Materials Project
Abstract
Li3Mg is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to eight equivalent Li and four equivalent Mg atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with four equivalent LiLi8Mg4 cuboctahedra, corners with eight equivalent MgLi12 cuboctahedra, edges with twenty-four LiLi8Mg4 cuboctahedra, faces with six equivalent MgLi12 cuboctahedra, and faces with twelve LiLi8Mg4 cuboctahedra. All Li–Li bond lengths are 3.09 Å. All Li–Mg bond lengths are 3.00 Å. In the second Li site, Li is bonded to eight Li and four equivalent Mg atoms to form LiLi8Mg4 cuboctahedra that share corners with twelve equivalent LiLi8Mg4 cuboctahedra, edges with eight equivalent MgLi12 cuboctahedra, edges with sixteen LiLi8Mg4 cuboctahedra, faces with four equivalent MgLi12 cuboctahedra, and faces with fourteen LiLi8Mg4 cuboctahedra. All Li–Li bond lengths are 3.00 Å. All Li–Mg bond lengths are 3.09 Å. Mg is bonded to twelve Li atoms to form MgLi12 cuboctahedra that share corners with four equivalent MgLi12 cuboctahedra, corners with eight equivalent LiLi8Mg4 cuboctahedra, edges with eight equivalent MgLi12 cuboctahedra, edges with sixteen equivalent LiLi8Mg4 cuboctahedra, faces with four equivalent MgLi12 cuboctahedra, and facesmore »
- Publication Date:
- Other Number(s):
- mp-1094159
- 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; Li3Mg; crystal structure
- OSTI Identifier:
- 1663123
- DOI:
- https://doi.org/10.17188/1663123
Citation Formats
Materials Data on Li3Mg by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1663123.
Materials Data on Li3Mg by Materials Project. United States. doi:https://doi.org/10.17188/1663123
2020.
"Materials Data on Li3Mg by Materials Project". United States. doi:https://doi.org/10.17188/1663123. https://www.osti.gov/servlets/purl/1663123. Pub date:Mon May 04 04:00:00 UTC 2020
@article{osti_1663123,
title = {Materials Data on Li3Mg by Materials Project},
abstractNote = {Li3Mg is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to eight equivalent Li and four equivalent Mg atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with four equivalent LiLi8Mg4 cuboctahedra, corners with eight equivalent MgLi12 cuboctahedra, edges with twenty-four LiLi8Mg4 cuboctahedra, faces with six equivalent MgLi12 cuboctahedra, and faces with twelve LiLi8Mg4 cuboctahedra. All Li–Li bond lengths are 3.09 Å. All Li–Mg bond lengths are 3.00 Å. In the second Li site, Li is bonded to eight Li and four equivalent Mg atoms to form LiLi8Mg4 cuboctahedra that share corners with twelve equivalent LiLi8Mg4 cuboctahedra, edges with eight equivalent MgLi12 cuboctahedra, edges with sixteen LiLi8Mg4 cuboctahedra, faces with four equivalent MgLi12 cuboctahedra, and faces with fourteen LiLi8Mg4 cuboctahedra. All Li–Li bond lengths are 3.00 Å. All Li–Mg bond lengths are 3.09 Å. Mg is bonded to twelve Li atoms to form MgLi12 cuboctahedra that share corners with four equivalent MgLi12 cuboctahedra, corners with eight equivalent LiLi8Mg4 cuboctahedra, edges with eight equivalent MgLi12 cuboctahedra, edges with sixteen equivalent LiLi8Mg4 cuboctahedra, faces with four equivalent MgLi12 cuboctahedra, and faces with fourteen LiLi8Mg4 cuboctahedra.},
doi = {10.17188/1663123},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon May 04 04:00:00 UTC 2020},
month = {Mon May 04 04:00:00 UTC 2020}
}