Structure of endohedral dimetallofullerene Sc2@C84

Masaki Takata, Eiji Nishibori, Buntaro Umeda, Makoto Sakata, Etsuji Yamamoto, Hisanori Shinohara

Research output: Contribution to journalArticlepeer-review

128 Citations (Scopus)


The endohedral nature of dimetallofullerene Sc2@C84 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 D2d-symmetry cage structure, indicating the rotation of Sc2@C84 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.

Original languageEnglish
Pages (from-to)3330-3333
Number of pages4
JournalPhysical Review Letters
Issue number17
Publication statusPublished - 1997 Apr 28


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