Materials Data on YMg2 by Materials Project
Mg2Y is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve YY6Mg6 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two YY6Mg6 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are six shorter (3.28 Å) and six longer (3.32 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Y atoms to form MgY3Mg9 cuboctahedra that share corners with eighteen MgY3Mg9 cuboctahedra, edges with six equivalent YY6Mg6 cuboctahedra, edges with twelve MgMg12 cuboctahedra, faces with six equivalent YY6Mg6 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.32 Å. All Mg–Y bond lengths are 3.44 Å. In the third Mg site, Mg is bonded to six equivalent Mg and six Y atoms to form MgY6Mg6 cuboctahedra that share corners with eighteen MgY3Mg9 cuboctahedra, edges with six equivalent MgY6Mg6 cuboctahedra, edges with twelve YY6Mg6 cuboctahedra, faces with eight MgY3Mg9 cuboctahedra, and faces with twelve YY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.32 Å. All Mg–Y bond lengths are 3.41 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to six Mg and six equivalent Y atoms to form YY6Mg6 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve YY6Mg6 cuboctahedra, edges with six equivalent YY6Mg6 cuboctahedra, edges with twelve MgY3Mg9 cuboctahedra, faces with seven YY6Mg6 cuboctahedra, and faces with thirteen MgMg12 cuboctahedra. All Y–Y bond lengths are 3.32 Å. In the second Y site, Y is bonded to six Mg and six equivalent Y atoms to form YY6Mg6 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve YY6Mg6 cuboctahedra, edges with six equivalent YY6Mg6 cuboctahedra, edges with twelve MgY3Mg9 cuboctahedra, faces with seven YY6Mg6 cuboctahedra, and faces with thirteen MgMg12 cuboctahedra. All Y–Mg bond lengths are 3.44 Å. All Y–Y bond lengths are 3.32 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:
- 1662593
- Report Number(s):
- mp-1094441
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on YMg by Materials Project
Materials Data on YMg2 by Materials Project