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Crystal structure analysis from powder X-ray diffraction data using high-temperature attachment for capillaries

Summer 2017 Volume 33, No. 2
Hisashi Konaka and Akito Sasaki

The physical and chemical properties of a crystalline solid depend heavily on the conformations of the molecules and the arrangement of atoms and molecules, that is, the “crystal structure”, as well as on the composing elements and molecular structures. The single crystal structure analysis technique is used in many fields as a good tool to precisely clarify the crystal structures required to understand the mechanisms of developing physical properties of crystalline materials.

In recent years, reports of the success of crystal structure analysis from powder X-ray diffraction data are increasing, particularly in regards to polycrystalline samples that were difficult for single crystal structure analysis. In addition to improvements in analysis methods and high performance PCs, one of the major reasons is that very good diffraction data can now be obtained using in-house powder X-ray diffractometers instead of synchrotron facilities due to improvements in X-ray optical devices and detectors.


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