Materials Data on Mg2Zn by Materials Project
Mg2Zn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Zn atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with eighteen equivalent MgMg8Zn4 cuboctahedra, edges with eight equivalent ZnMg9Zn3 cuboctahedra, edges with ten MgMg8Zn4 cuboctahedra, faces with eight equivalent ZnMg9Zn3 cuboctahedra, and faces with twelve MgMg8Zn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.99–3.11 Å. All Mg–Zn bond lengths are 3.03 Å. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent Zn atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with eighteen equivalent ZnMg9Zn3 cuboctahedra, edges with eighteen MgMg8Zn4 cuboctahedra, faces with six equivalent ZnMg9Zn3 cuboctahedra, and faces with fourteen MgMg8Zn4 cuboctahedra. All Mg–Zn bond lengths are 3.03 Å. Zn is bonded to nine Mg and three equivalent Zn atoms to form distorted ZnMg9Zn3 cuboctahedra that share corners with nine equivalent MgMg6Zn6 cuboctahedra, corners with nine equivalent ZnMg9Zn3 cuboctahedra, edges with six equivalent ZnMg9Zn3 cuboctahedra, edges with twelve equivalent MgMg8Zn4 cuboctahedra, faces with five equivalent ZnMg9Zn3 cuboctahedra, and faces with fifteen MgMg8Zn4 cuboctahedra. All Zn–Zn bond lengths are 3.03 Å.
- 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:
- 1677026
- Report Number(s):
- mp-1094448
- Country of Publication:
- United States
- Language:
- English
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