Materials Data on Gd2O3 by Materials Project
Gd2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.25–2.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Gd3+ atoms to form OGd6 octahedra that share corners with twelve equivalent OGd4 tetrahedra, edges with six equivalent OGd6 octahedra, and edges with six equivalent OGd4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Gd3+ atoms to form OGd4 tetrahedra that share corners with six equivalent OGd6 octahedra, corners with six equivalent OGd4 tetrahedra, edges with three equivalent OGd6 octahedra, and edges with three equivalent OGd4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–56°.
- 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:
- 1195599
- Report Number(s):
- mp-20470
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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