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Single-Crystal X-ray Diffraction Unit

Single-crystal X-ray Diffractometer

Bruker D8 Quest Eco, equipped with a Photon detector, and a fixed-chi goniometer configuration. Software Apex3.


Single crystal X-ray diffraction (SC-XRD) is an important technique in structural determination of crystalline materials for understanding their structure–property relationships. This technique provides detailed information about the internal lattice of crystalline substances, including unit cell dimensions, bond-lengths, bond-angles, and details of site-ordering.

The “sine qua non” condition for the use of this technique is that the compound has to be monocrystalline. Ideally, the crystal size should be at least 0.02 mm in size, although the X-rays generated by high intensity (Mo) microsource available in our diffractometer (50 kV, High Brilliance of Incoatec) can be applied to smaller crystals, though it may affect the quality of the data obtained. The Mo radiation is the most frequently used in this technique, especially for resolution of small and medium sized molecules. In contrast, it can not be applied to determine the structure of macromolecules (e.g. proteins).

Crystals from homogeneous crystallizations, or from mixtures in which the target crystals are clearly differentiated, should be provided in order to obtain homogeneous information. Twinned or irregularly shaped crystals must be avoided to prevent data treatment and mathematical resolution issues.

The applications of this technique can be applied to the following areas: Chemical Research (study of new substances), quality control, materials Science, chemical industry, pharmaceutical industry and biotechnology