Technologies

The Open Chemistry Database, OChemDb, is a web portal for the research and analysis of crystallochemical information relating to organic, inorganic, metallorganic compounds, and provides statistical information on bond distances, bond angles, torsion angles, types of atoms and space groups. To obtain the above information, OChemDb queries a database, appropriately designed, that contains crystalline structures already resolved.

EXPO is a software for the determination of the atomic structure of various materials (organic, metallorganic, inorganic), available in the form of microcrystalline powders, in order to derive the structure-property relationships. EXPO requires the molecular formula of the material, the experimental X-ray diffraction data and, in some cases, the expected molecular geometry.

QUALX is a software for qualitative and semi-quantitative phase analysis of materials (organic, metallorganic, inorganic), available in the form of microcrystalline powders. It uses a database distributed together with the software. QUALX identifies the crystalline chemical phase, one or more of than one, present in a material and determines approximately the weight percentages of each phase present in a mixture.

X-ray imaging techniques can work in i) "full-field mode" in which the object to study (or part of it) is completely illuminated by the X-ray beam; ii) "scanning mode" in which an X-ray beam, focused through an opportune optics, illuminates in succession contiguous areas of the sample under examination, and the transmitted wave is measured by a detector placed at a proper distance from it. One of these X-ray scanning microscopes is available at the facility (X-ray MicroImaging, XMIL@b) of the Institute of Crystallography (CNR-Bari).