Materials Data on ScBiO3 by Materials Project
BiScO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form distorted ScO6 octahedra that share corners with nine equivalent BiO6 pentagonal pyramids, edges with three equivalent ScO6 octahedra, and a faceface with one BiO6 pentagonal pyramid. There are three shorter (2.10 Å) and three longer (2.21 Å) Sc–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted BiO6 pentagonal pyramids that share corners with nine equivalent ScO6 octahedra, edges with three equivalent BiO6 pentagonal pyramids, and a faceface with one ScO6 octahedra. The corner-sharing octahedra tilt angles range from 40–66°. There are three shorter (2.37 Å) and three longer (2.43 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Sc3+ and two equivalent Bi3+ atoms.
- 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:
- 1675707
- Report Number(s):
- mp-1101383
- Country of Publication:
- United States
- Language:
- English
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