Materials Data on Rb2U2O7 by Materials Project
Rb2U2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded to six O2- atoms to form RbO6 octahedra that share corners with six equivalent UO6 octahedra and edges with six equivalent RbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–57°. There are a spread of Rb–O bond distances ranging from 2.83–2.96 Å. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with five equivalent UO6 octahedra, corners with six equivalent RbO6 octahedra, and an edgeedge with one UO6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are a spread of U–O bond distances ranging from 1.89–2.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Rb1+ and one U6+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent U6+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Rb1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent U6+ 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:
- 1271492
- Report Number(s):
- mp-560458
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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