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Structure determination of a IPR-violating metallofullerene, Sc2@C66

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Powder diffraction is a powerful technique to study crystal structures. Using this technique, one can measure structural parameters such as lattice parameters, atomic positions, etc of crystalline materials. By using synchrotron radiation one can also obtain charge density level structures closely related with physical properties as well as structural parameters. The figure shows charge density distributions obtained by analyzing diffraction data of a metallofullerene, Sc2@C66. These data reveal the fact that the IPR-violating metallofullerene is to be found.

 

Fig. Charge densities (left) and the structural model (right) of Sc2@C66.

Scientific keywords

A. Sample category organic material
B. Sample category (detail) semiconductor, solid-state crystal, crystal
C. Technique X-ray diffraction
D. Technique (detail) powder diffraction
E. Particular condition room temperature
F. Photon energy X-ray (4-40 keV)
G. Target information molecular structure, structure analysis, crystal structure, charge density

Industrial keywords

level 1---Application area Semiconductor
level 2---Target
level 3---Target (detail)
level 4---Obtainable information crystal structure
level 5---Technique diffraction

Inquiry number

SOL-0000000955

Last modified 2019-11-22 09:17
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