Abstract
The endohedral nature of dimetallofullerene S@ is determined for the first time by a method which is a combination of the maximum entropy method (MEM) and the Rietveld refinement from synchrotron powder diffraction data. The obtained MEM charge density clearly shows the -symmetry cage structure, indicating the rotation of S@ molecules in solid state is almost quenched even at room temperature. From the MEM charge density, the encapsulated Sc-Sc distance and the nearest Sc-C distance are 3.9(1) and 2.4(1) Å, respectively.
- Received 23 September 1996
DOI:https://doi.org/10.1103/PhysRevLett.78.3330
©1997 American Physical Society