Materials Data on TmMg5 by Materials Project
Mg5Tm is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent Tm atoms to form MgTm3Mg9 cuboctahedra that share corners with eighteen MgTm3Mg9 cuboctahedra, edges with six equivalent TmTm6Mg6 cuboctahedra, edges with twelve MgTm3Mg9 cuboctahedra, faces with six equivalent TmTm6Mg6 cuboctahedra, and faces with fourteen MgTm3Mg9 cuboctahedra. There are three shorter (3.19 Å) and six longer (3.25 Å) Mg–Mg bond lengths. All Mg–Tm bond lengths are 3.37 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent TmTm6Mg6 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with eighteen MgTm3Mg9 cuboctahedra, a faceface with one TmTm6Mg6 cuboctahedra, and faces with nineteen MgTm3Mg9 cuboctahedra. There are three shorter (3.18 Å) and six longer (3.25 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgTm3Mg9 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, and faces with twenty MgTm3Mg9 cuboctahedra. There are three shorter (3.18 Å) and six longer (3.25 Å) Mg–Mg bond lengths. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent TmTm6Mg6 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with eighteen MgTm3Mg9 cuboctahedra, a faceface with one TmTm6Mg6 cuboctahedra, and faces with nineteen MgTm3Mg9 cuboctahedra. There are three shorter (3.19 Å) and six longer (3.25 Å) Mg–Mg bond lengths. Tm is bonded to six equivalent Mg and six equivalent Tm atoms to form TmTm6Mg6 cuboctahedra that share corners with six equivalent TmTm6Mg6 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with six equivalent TmTm6Mg6 cuboctahedra, edges with twelve equivalent MgTm3Mg9 cuboctahedra, faces with six equivalent TmTm6Mg6 cuboctahedra, and faces with fourteen MgTm3Mg9 cuboctahedra. All Tm–Tm bond lengths are 3.25 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:
- 1316088
- Report Number(s):
- mp-979081
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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