Materials Data on Yb3Sc by Materials Project
Yb3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Sc atoms to form distorted YbYb8Sc4 cuboctahedra that share corners with four equivalent ScYb12 cuboctahedra, corners with fourteen equivalent YbYb8Sc4 cuboctahedra, edges with six equivalent ScYb12 cuboctahedra, edges with twelve equivalent YbYb8Sc4 cuboctahedra, faces with four equivalent ScYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Sc4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.59–3.76 Å. There are two shorter (3.64 Å) and two longer (3.67 Å) Yb–Sc bond lengths. Sc is bonded to twelve equivalent Yb atoms to form ScYb12 cuboctahedra that share corners with six equivalent ScYb12 cuboctahedra, corners with twelve equivalent YbYb8Sc4 cuboctahedra, edges with eighteen equivalent YbYb8Sc4 cuboctahedra, faces with eight equivalent ScYb12 cuboctahedra, and faces with twelve equivalent YbYb8Sc4 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:
- 1758295
- Report Number(s):
- mp-1187986
- Country of Publication:
- United States
- Language:
- English
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