Materials Data on Ce2O3 by Materials Project
Ce2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.31–2.67 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ce3+ atoms to form OCe4 tetrahedra that share corners with six equivalent OCe6 octahedra, corners with six equivalent OCe4 tetrahedra, edges with three equivalent OCe6 octahedra, and edges with three equivalent OCe4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–56°. In the second O2- site, O2- is bonded to six equivalent Ce3+ atoms to form OCe6 octahedra that share corners with twelve equivalent OCe4 tetrahedra, edges with six equivalent OCe6 octahedra, and edges with six equivalent OCe4 tetrahedra.
- 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:
- 1201414
- Report Number(s):
- mp-2721
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ce2O3 by Materials Project
Materials Data on Ce2O3 by Materials Project
Materials Data on Ce2SO2 by Materials Project
Dataset
·
Mon Jul 20 00:00:00 EDT 2020
·
OSTI ID:1271839
Materials Data on Ce2O3 by Materials Project
Dataset
·
Thu Apr 30 00:00:00 EDT 2020
·
OSTI ID:1266495
Materials Data on Ce2SO2 by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1207691