Volume 41, Number 5, March I 1998
|Page(s)||553 - 558|
|Section||Condensed matter: electronic structure, electrical, magnetic and optical properties|
|Published online||01 September 2002|
Octahedral cations in Rb3C60: Reconciliation of conflicting evidence from different probes
Department of Physics, State University of New York,
Stony Brook, NY 11794-3800 USA
2 National Synchrotron Light Source, Brookhaven National Lab, Upton, NY 11973 USA
3 Department of Materials Science and Laboratory for Research on the Structure of Matter, University of Pennsylvania, Philadelphia, PA 19104-6272 USA
Accepted: 8 January 1998
There is an apparent contradiction between X-ray diffraction, NMR and extended X-ray-absorption fine-structure (EXAFS) measurements on the structure of . Specifically, a possible displacement of the octahedral alkali cations away from their site center and the origin of a third observed Rb NMR line have been widely discussed. We address this question with X-ray powder diffraction as a function of temperature and find that the octahedral cation does have its equilibrium position at the site center with a large Debye-Waller factor. We show how this result can be reconciled with results of NMR and EXAFS.
PACS: 74.70.Wz – Fullerenes and related materials / 61.10.Nz – Single-crystal and powder diffraction
© EDP Sciences, 1998
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