Materials Data on Sc2O3 by Materials Project
Sc2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.04–2.41 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sc3+ atoms to form OSc4 tetrahedra that share corners with six equivalent OSc6 octahedra, corners with six equivalent OSc4 tetrahedra, edges with three equivalent OSc6 octahedra, and edges with three equivalent OSc4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–54°. In the second O2- site, O2- is bonded to six equivalent Sc3+ atoms to form OSc6 octahedra that share corners with twelve equivalent OSc4 tetrahedra, edges with six equivalent OSc6 octahedra, and edges with six equivalent OSc4 tetrahedra.
- 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:
- 1189356
- Report Number(s):
- mp-13060
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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