Materials Data on RbO2F by Materials Project
RbO2F crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to four O and four F atoms. There are two shorter (3.08 Å) and two longer (3.24 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.69–3.00 Å. In the second Rb site, Rb is bonded to six F atoms to form edge-sharing RbF6 octahedra. There are a spread of Rb–F bond distances ranging from 2.92–3.05 Å. In the third Rb site, Rb is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (2.99 Å) and four longer (3.00 Å) Rb–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two Rb and one O atom. The O–O bond length is 1.25 Å. In the second O site, O is bonded in a 3-coordinate geometry to two Rb and one O atom. There are two inequivalent F sites. In the first F site, F is bonded in a trigonal planar geometry to three Rb atoms. In the second F site, F is bonded in a rectangular see-saw-like geometry to four Rb 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:
- 1700237
- Report Number(s):
- mp-1209321
- Country of Publication:
- United States
- Language:
- English
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