U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Mg by Materials Project
Abstract
MgLi2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to eight Li and four equivalent Mg atoms to form LiLi8Mg4 cuboctahedra that share corners with eighteen equivalent LiLi8Mg4 cuboctahedra, edges with eight equivalent MgLi9Mg3 cuboctahedra, edges with ten LiLi8Mg4 cuboctahedra, faces with eight equivalent MgLi9Mg3 cuboctahedra, and faces with twelve LiLi8Mg4 cuboctahedra. There are six shorter (3.07 Å) and two longer (3.08 Å) Li–Li bond lengths. All Li–Mg bond lengths are 3.08 Å. In the second Li site, Li is bonded to six equivalent Li and six equivalent Mg atoms to form LiLi6Mg6 cuboctahedra that share corners with six equivalent LiLi6Mg6 cuboctahedra, corners with twelve equivalent MgLi9Mg3 cuboctahedra, edges with eighteen LiLi8Mg4 cuboctahedra, faces with eight equivalent MgLi9Mg3 cuboctahedra, and faces with twelve equivalent LiLi8Mg4 cuboctahedra. All Li–Mg bond lengths are 3.07 Å. Mg is bonded to nine Li and three equivalent Mg atoms to form MgLi9Mg3 cuboctahedra that share corners with six equivalent LiLi6Mg6 cuboctahedra, corners with twelve equivalent MgLi9Mg3 cuboctahedra, edges with six equivalent MgLi9Mg3 cuboctahedra, edges with twelve equivalent LiLi8Mg4 cuboctahedra, faces with four equivalent MgLi9Mg3 cuboctahedra, and faces withmore »
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1315454
- Report Number(s):
- mp-976885
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Li2Mg; Li-Mg
Citation Formats
The Materials Project. Materials Data on Li2Mg by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1315454.
The Materials Project. Materials Data on Li2Mg by Materials Project. United States. https://doi.org/10.17188/1315454
The Materials Project. 2020.
"Materials Data on Li2Mg by Materials Project". United States. https://doi.org/10.17188/1315454. https://www.osti.gov/servlets/purl/1315454.
@article{osti_1315454,
title = {Materials Data on Li2Mg by Materials Project},
author = {The Materials Project},
abstractNote = {MgLi2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to eight Li and four equivalent Mg atoms to form LiLi8Mg4 cuboctahedra that share corners with eighteen equivalent LiLi8Mg4 cuboctahedra, edges with eight equivalent MgLi9Mg3 cuboctahedra, edges with ten LiLi8Mg4 cuboctahedra, faces with eight equivalent MgLi9Mg3 cuboctahedra, and faces with twelve LiLi8Mg4 cuboctahedra. There are six shorter (3.07 Å) and two longer (3.08 Å) Li–Li bond lengths. All Li–Mg bond lengths are 3.08 Å. In the second Li site, Li is bonded to six equivalent Li and six equivalent Mg atoms to form LiLi6Mg6 cuboctahedra that share corners with six equivalent LiLi6Mg6 cuboctahedra, corners with twelve equivalent MgLi9Mg3 cuboctahedra, edges with eighteen LiLi8Mg4 cuboctahedra, faces with eight equivalent MgLi9Mg3 cuboctahedra, and faces with twelve equivalent LiLi8Mg4 cuboctahedra. All Li–Mg bond lengths are 3.07 Å. Mg is bonded to nine Li and three equivalent Mg atoms to form MgLi9Mg3 cuboctahedra that share corners with six equivalent LiLi6Mg6 cuboctahedra, corners with twelve equivalent MgLi9Mg3 cuboctahedra, edges with six equivalent MgLi9Mg3 cuboctahedra, edges with twelve equivalent LiLi8Mg4 cuboctahedra, faces with four equivalent MgLi9Mg3 cuboctahedra, and faces with sixteen LiLi8Mg4 cuboctahedra. All Mg–Mg bond lengths are 3.07 Å.},
doi = {10.17188/1315454},
url = {https://www.osti.gov/biblio/1315454},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}