Materials Data on ScSi2 by Materials Project
ScSi2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing ScSi12 cuboctahedra. All Sc–Si bond lengths are 2.95 Å. Si is bonded in a 9-coordinate geometry to six equivalent Sc and three equivalent Si atoms. All Si–Si bond lengths are 2.33 Å.
- 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:
- 1202526
- Report Number(s):
- mp-2841
- Country of Publication:
- United States
- Language:
- English
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