Structure of IPR-violated fullerene, Sc2@C66

E. Nishibori, M. Takata, M. Sakata, Chun Ru Wang, M. Inakuma, H. Shinohara

Research output: Chapter in Book/Report/Conference proceedingConference contribution


The endohedral structure of Isolated Pentagon Rule(IPR) violated scandium metallofullerene Sc2@C66 is determined by the maximum entropy method (MEM) combined with the Rietveld method using synchrotron radiation powder data. The result reveals for the assistance of the fused pentagon first time. The fused pentagon locates close to the encapsulated Sc-dimmers. The Charge state of the encaged dimmer is also determined Sc22+@C662- form the MEM charge density. The Sc-Sc distance in Sc2 cluster is 2.87(9) Å.

Original languageEnglish
Title of host publicationNanonetwork Materials
Subtitle of host publicationFullerenes, Nanotubes, and Related Systems
EditorsTsuneya Ando, Yoshihiro Iwasawa, Koichi Kikuchi, Yahachi Saito, Susumu Saito, Mototada Kobayashi
PublisherAmerican Institute of Physics Inc.
Number of pages4
ISBN (Electronic)0735400326, 9780735400320
Publication statusPublished - 2001 Oct 16
Externally publishedYes
EventInternational Symposium on Nanonetwork Materials: Fullerenes, Nanotubes, and Related Systems 2001 - Kamakura, Japan
Duration: 2001 Jan 152001 Jan 18

Publication series

NameAIP Conference Proceedings
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616


OtherInternational Symposium on Nanonetwork Materials: Fullerenes, Nanotubes, and Related Systems 2001

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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