SPring-8, the large synchrotron radiation facility

Inquiry number

SOL-0000000905

Beamline

BL02B2 (Powder Diffraction)

Scientific keywords

A. Sample category	organic material
B. Sample category (detail)	solid-state crystal, organic material, crystal
C. Technique	X-ray diffraction
D. Technique (detail)	powder diffraction
E. Particular condition	low-T (~ liquid N2), Gas Adsorption
F. Photon energy	X-ray (4-40 keV)
G. Target information	structure analysis, crystal structure, function and structure, charge density

Industrial keywords

level 1---Application area	cell (battery), environment
level 2---Target	fuel cell, catalysis
level 3---Target (detail)	electric rod
level 4---Obtainable information	crystal structure, adsorption
level 5---Technique	diffraction

Classification

A80.14 magnetic materials, A80.32 organic material, A80.40 environmental materials, A80.42 energy, resource, 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 metal-organic solid under oxygen gas adsorption. These data reveal the fact that adsorbed oxygen molecules(red color)form a one-dimensional array in the nanochannels.

Fig. Charge Densities without O₂ molecules (upper) and with adsorbed O₂ molecules (lower)in a metal-organic solid.

[ R. Kitaura, S. Kitagawa, Y. Kubota, T. C. Kobayashi, K. Kindo, Y. Mita, A. Matsuo, M. Kobayashi, H.-C. Chang, T. C. Ozawa, M. Suzuki, M. Sakata and M. Takata, Science 298, 2358-2361 (2002), Fig. 3,
©2002 American Association for the Advancement of Science ]

Source of the figure

Original paper/Journal article

Journal title

Science, 298 (2002) 2358.

Figure No.

3

Technique

Synchrotron radiation powder diffraction is a powerful technique to study crystal structures. The technique is applicable to solid-state crystals adsorbing gas molecules and provides knowledge about the structure with adsorbed gas molecules.

Fig. A large Debye-Scherrer camera with a gas handling system.

Source of the figure

Original paper/Journal article

Journal title

SPring-8 利用者情報, 8 (2003) 406.

Figure No.

2

Required time for experimental setup

1 shift(s)

Instruments

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

References

Document name
R. Kitaura et al., Science, 298 (2002) 2358.

Related experimental techniques

Single crystal structure analysis

Questionnaire

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.
With user's own instruments.

Ease of measurement

With a great skill

Ease of analysis

Middle

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

Four-nine shifts