Materials Data on Li2Mg by Materials Project
MgLi2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to nine equivalent Li and three equivalent Mg atoms to form LiLi9Mg3 cuboctahedra that share corners with six equivalent MgLi6Mg6 cuboctahedra, corners with twelve equivalent LiLi9Mg3 cuboctahedra, edges with six equivalent MgLi6Mg6 cuboctahedra, edges with twelve equivalent LiLi9Mg3 cuboctahedra, faces with seven equivalent MgLi6Mg6 cuboctahedra, and faces with thirteen equivalent LiLi9Mg3 cuboctahedra. There are three shorter (3.04 Å) and six longer (3.09 Å) Li–Li bond lengths. All Li–Mg bond lengths are 3.10 Å. Mg is bonded to six equivalent Li and six equivalent Mg atoms to form MgLi6Mg6 cuboctahedra that share corners with six equivalent MgLi6Mg6 cuboctahedra, corners with twelve equivalent LiLi9Mg3 cuboctahedra, edges with six equivalent MgLi6Mg6 cuboctahedra, edges with twelve equivalent LiLi9Mg3 cuboctahedra, faces with six equivalent MgLi6Mg6 cuboctahedra, and faces with fourteen equivalent LiLi9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1315536
- Report Number(s):
- mp-977207
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on LiMg by Materials Project
Materials Data on Li2Mg by Materials Project