Materials Data on Sc3V by Materials Project
Sc3V is beta Cu3Ti-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 V atoms to form distorted ScSc8V4 cuboctahedra that share corners with four equivalent VSc12 cuboctahedra, corners with fourteen equivalent ScSc8V4 cuboctahedra, edges with six equivalent VSc12 cuboctahedra, edges with twelve equivalent ScSc8V4 cuboctahedra, faces with four equivalent VSc12 cuboctahedra, and faces with sixteen equivalent ScSc8V4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.08–3.25 Å. There are two shorter (3.04 Å) and two longer (3.17 Å) Sc–V bond lengths. V is bonded to twelve equivalent Sc atoms to form VSc12 cuboctahedra that share corners with six equivalent VSc12 cuboctahedra, corners with twelve equivalent ScSc8V4 cuboctahedra, edges with eighteen equivalent ScSc8V4 cuboctahedra, faces with eight equivalent VSc12 cuboctahedra, and faces with twelve equivalent ScSc8V4 cuboctahedra.
- 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:
- 1733624
- Report Number(s):
- mp-1186979
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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