Materials Data on Rb2CeO3 by Materials Project
Rb2CeO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six O2- atoms to form distorted RbO6 octahedra that share corners with two equivalent RbO6 octahedra, corners with four equivalent CeO6 octahedra, edges with two equivalent RbO6 octahedra, and edges with four equivalent CeO6 octahedra. The corner-sharing octahedra tilt angles range from 18–25°. There are two shorter (2.73 Å) and four longer (3.15 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded to six O2- atoms to form distorted RbO6 octahedra that share corners with two equivalent RbO6 octahedra, edges with two equivalent RbO6 octahedra, and edges with six equivalent CeO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are two shorter (2.83 Å) and four longer (2.84 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.75–3.18 Å. Ce4+ is bonded to six O2- atoms to form distorted CeO6 octahedra that share corners with two equivalent RbO6 octahedra, edges with three equivalent CeO6 octahedra, and edges with five RbO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two shorter (2.31 Å) and four longer (2.32 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Ce4+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Ce4+ atoms.
- 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:
- 1283132
- Report Number(s):
- mp-676666
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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