Materials Data on Mg3Al by Materials Project
AlMg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Al atoms to form MgMg8Al4 cuboctahedra that share corners with four equivalent AlMg12 cuboctahedra, corners with fourteen equivalent MgMg8Al4 cuboctahedra, edges with six equivalent AlMg12 cuboctahedra, edges with twelve equivalent MgMg8Al4 cuboctahedra, faces with four equivalent AlMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Al4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.04–3.12 Å. There are two shorter (3.08 Å) and two longer (3.09 Å) Mg–Al bond lengths. Al is bonded to twelve equivalent Mg atoms to form AlMg12 cuboctahedra that share corners with six equivalent AlMg12 cuboctahedra, corners with twelve equivalent MgMg8Al4 cuboctahedra, edges with eighteen equivalent MgMg8Al4 cuboctahedra, faces with eight equivalent AlMg12 cuboctahedra, and faces with twelve equivalent MgMg8Al4 cuboctahedra.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1747262
- Report Number(s):
- mp-1094970
- Country of Publication:
- United States
- Language:
- English
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