Materials Data on Li2Mg by Materials Project
MgLi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to four equivalent Li and four equivalent Mg atoms. There are two shorter (2.98 Å) and two longer (3.01 Å) Li–Li bond lengths. There are two shorter (3.00 Å) and two longer (3.05 Å) Li–Mg bond lengths. In the second Li site, Li is bonded in a 12-coordinate geometry to six Li and three equivalent Mg atoms. Both Li–Li bond lengths are 2.99 Å. There are two shorter (3.04 Å) and one longer (3.21 Å) Li–Mg bond lengths. Mg is bonded to seven Li and five equivalent Mg atoms to form a mixture of distorted face, edge, and corner-sharing MgLi7Mg5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.12–3.21 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:
- 1315377
- Report Number(s):
- mp-976843
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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