Journal of Physical Chemistry B, Vol.110, No.39, 19215-19219, 2006
High-resolution analysis of (Sc3C2)@C-80 metallofullerene by third generation synchrotron radiation X-ray powder diffraction
The X-ray structure of Sc3C82 is redetermined by the MEM/Rietveld method by using synchrotron radiation powder data at SPring-8, where the C-2 encapsulated structure available to discuss the Sc-Sc interatomic distances has been determined. The encapsulated three scandium atoms form a triangle shape. A spherical charge distribution originating from the C-2 molecule is located at the center of the triangle. Interatomic distances between Sc and Sc are 3.61(3) angstrom in the triangle. The distance between Sc and the center of the C-2 molecule is 2.07(1) angstrom.