Pentagonal-dodecahedral la2 charge density in [80-ih ]fullerene: la2 @c80

E Nishibori; M Takata; M Sakata; A Taninaka; H Shinohara

doi:10.1002/1521-3773(20010817)40:16<2998::AID-ANIE2998>3.0.CO;2-4

Pentagonal-dodecahedral la2 charge density in [80-ih ]fullerene: la2 @c80

Angew Chem Int Ed Engl. 2001;40(16):2998-9. doi: 10.1002/1521-3773(20010817)40:16<2998::AID-ANIE2998>3.0.CO;2-4.

Authors

E Nishibori¹, M Takata, M Sakata, A Taninaka, H Shinohara

Affiliation

¹ Department of Applied Physics, Nagoya University Nagoya 464-8603, Japan, Fax: (+81) 52-789-4455.

PMID: 12203628
DOI: 10.1002/1521-3773(20010817)40:16<2998::AID-ANIE2998>3.0.CO;2-4

Abstract

A double shell of Platonic solids: A trajectory that connects the six-membered rings of Ih -C80 is followed by the two La atoms of La2 @C80 according to maximum entropy/Rietveld analysis of the synchrotron powder-diffraction data. The result is a pentagonal-dodecahedral charge-density distribution for La2 (brown in the picture) inside the icosahedral C80 cage (green).

Keywords: X-ray diffraction; fullerenes; lanthanum; structure elucidation; synchrotron radiation.