Open AccessStructural studies of endohedral metallofullerenes by synchrotron radiation powder diffraction
Author(s) -
Nishibori E.,
Takata M.,
Sakata M.,
Shinohara H.
Publication year - 1998
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s0909049597016816
Subject(s) - powder diffraction , synchrotron radiation , rietveld refinement , maximum entropy method , synchrotron , crystallography , materials science , diffraction , x ray crystallography , chemistry , physics , optics , crystal structure , computational physics
The endohedral natures of the metallofullerenes Y@C 82 and Sc 2 @C 8 4 are described based on synchrotron radiation powder diffraction experiments. For structural analysis, a combination of the maximum‐entropy method (MEM) and Rietveld refinement was employed to analyse the complicated powder pattern. The obtained MEM charge densities show a clear distinction of the endohedral natures of the mono‐ and dimetallofullerenes.