SCXRD, PXRD and OHCD
X-Ray Diffraction Measurement Services
SCXRD
Single crystal structure analysis
The complete elucidation of crystal structures from single crystal data is the focus of our work. We support internal research groups as well as external scientists in determining the structure of inorganic, organic and organometallic compounds.
Since the quality of the measurement data depends largely on the nature of the single crystal used and we often work at the limits of what is technically feasible, we attach great importance to individual support. We are happy to arrange picking appointments in person or by telephone, during which we select a suitable single crystal from your sample together with you.
External measurement orders are possible if capacity is available. Your contacts for measurements with Mo and Ag radiation are the instrument operators and Silke Kremer. For measurements with Cu radiation, an identical single-crystal diffractometer is available under the supervision of Jörg Neudörfl is available.
Sample Submission
From preparation to collection
Access to Measurement Data
Guide to the one-time setup for permanent access to the network drive with measurement data
Publication
Instrument details and mandatory acknowledgement text for publications and theses
Contact persons
Silke Kremer
PXRD
Powder X-ray diffraction
The department has several powder diffractometers available for the qualitative phase analysis of polycrystalline samples. Measurements are possible both at room temperature and under cryogenic conditions down to 100 K; Mo and Ag radiation are available as radiation sources.
Samples for routine measurements can be delivered to us at any time in pith tubes. A brief introduction to our sample delivery system is only required on the first visit. For measurements on flat substrates and for experiments with special measurement parameters - such as temperature-dependent measurements or long-term exposures - please contact us personally in advance. Contact us in order to jointly determine the optimum measurement conditions and minimize the signal-to-noise ratio of the respective sample.
For further data evaluation, in particular quantitative phase analyses and Rietveld refinements, we are happy to refer you to the relevant experts at the Institute of Inorganic and Material Chemistry.
Contact person
Optical Heating and Crystallization Device
OHCD
The Optical Heating and Crystallization Device (OHCD) enables the targeted generation of crystalline phases directly on the single-crystal diffractometer. Through controlled optical heating and subsequent crystallization, compounds that are difficult or impossible to crystallize by conventional means can be converted into their crystalline form in situ and immediately subjected to structural analysis. The method is particularly suitable for thermally labile compounds and substances with a low melting point.
The device is supervised by the working group of Prof. Mathias S. Wickleder. For the planning and execution of experiments, please contact David van Gerven. We look forward to your inquiry!
Contact person
Dr. David van Gerven
Access to measurement data
Your measurement data is provided on a SoFS network drive and is available to you at high download speed. Access can be requested once by users with an existing university account at the University of Cologne and is then activated manually by us. The application form can be found after registration in the internal area of this website and as a QR code at the respective measuring rooms.
As soon as access has been activated, you will receive a confirmation email with the exact access paths. Instructions for data access under Windows and for other operating systems and end devices can be found here.
We use the TSM system of the University of Cologne for the long-term archiving of your measurement data. Archived data can be restored at any time on request.
User meeting
The continuous improvement of our measurement quality and device capacities is a key concern for us, and feedback from our users is essential for this. The team of the X-ray diffractometry department therefore meets monthly with representatives of the individual working groups to discuss new developments, methodological issues and current challenges.
In addition, we are always happy to have direct contact with researchers. Please feel free to contact us.