SPring-8, the large synchrotron radiation facility

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

  • Only SPring-8

Inquiry number



BL02B2 (Powder Diffraction)

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


A80.12 semiconductor, M10.20 powder diffraction

Body text

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.

Source of the figure

Original paper/Journal article

Journal title

SPring-8 利用者情報, 6 (2001) 116.

Figure No.



Powder diffraction using synchrotron radiations a powerful technique to study crystal structures. The technique is applicable to a very small amount of powder samples of several milligrams and provides knowledge about structures of novel materials.


Fig. A large Debye-Scherrer camera.

Source of the figure

Presentation material for Beamline Report

Required time for experimental setup

1 hour(s)


Instrument Purpose Performance
Large Debye-Scherrer camera Powder diffraction Camera radius: 286.48mm, Temperature: 15-1000K


Document name
C. R. Wang et al., Nature, 408 (2000) 426.

Related experimental techniques

Single crystal structure analysis


The measurement was possible only in SPring-8. Impossible or very difficult in other facilities.
This solution is an application of a main instrument of the beamline.

Ease of measurement

With a great skill

Ease of analysis

With a great skill

How many shifts were needed for taking whole data in the figure?

Four-nine shifts

Last modified 2019-11-22 09:17