Materials Data on Sc3Te by Materials Project
Sc3Te is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Te atoms to form distorted ScSc8Te4 cuboctahedra that share corners with four equivalent TeSc12 cuboctahedra, corners with fourteen equivalent ScSc8Te4 cuboctahedra, edges with six equivalent TeSc12 cuboctahedra, edges with twelve equivalent ScSc8Te4 cuboctahedra, faces with four equivalent TeSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Te4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.15–3.19 Å. There are two shorter (3.14 Å) and two longer (3.18 Å) Sc–Te bond lengths. Te is bonded to twelve equivalent Sc atoms to form TeSc12 cuboctahedra that share corners with six equivalent TeSc12 cuboctahedra, corners with twelve equivalent ScSc8Te4 cuboctahedra, edges with eighteen equivalent ScSc8Te4 cuboctahedra, faces with eight equivalent TeSc12 cuboctahedra, and faces with twelve equivalent ScSc8Te4 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:
- 1676575
- Report Number(s):
- mp-1186975
- Country of Publication:
- United States
- Language:
- English
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