Absorption correction is today a highly automated process performed in the course of data reduction, on most diffractometer software suites directly after the measurement. In the utmost cases, this process is not handled with the required care, and by this considerable systematic errors can be introduced into the data sets. The impacts of missing or wrong absorption corrections are subtile but inflict all structure parameters, from standard deviations of atomic parameters and residual electron densities to R values. It is of high importance to rationalise functionality and methods of absorption correction in order to avoid systematic errors. A brief overview is given on the theoretical background and different methods of absorption correction algorithms. Some examples from our research on amalgams showing unusually high absorption effects are given to illustrate problems of absorption and how to overcome them.

54 min.

Solid ion conductors are fascinating materials for energy conversion and storage applications. Due to their intrinsic properties and especially their high ion mobility in the lattice they are often characterized by complex crystal structures, polymorphism and the loss symmetry during structural phase transitions. This last aspect often causes twinning and demands the collection of precise data and the usage of group-subgroups relations to solve and understand their crystal structures. Beside the structural features of a selection of solid ion conductors discussed in this presentation also intriguing electronic property changes can occur that are closely related to the ion dynamics and structure changes upon heating or cooling of such materials. In this talk we present a series of copper and silver ion conductors that also show reasonable electronic conductivities which characterize them as mixed-conducting semiconductors. […]

55 min.

STOE SPHERES, a new analytical tool for:
Visualization of direction-dependent populations
Easy assessment of coverage for desired direction-dependent scaling
Representation of direction-dependent deviations, changes and scale factors
Recognition of direction-dependent underscaling/overscaling
Better understanding of Spherical Harmonics
Identification of outliers
Join us for this presentation followed by a live-demonstration of the new features!

Featuring Friedemann Hahn, STOE.

56 min.

See how we designed for Karlsruhe Institute of Technology an X-ray diffraction system for both, single-crystal diffraction and powder diffraction powered by a dual port Excillum MetalJet source. With two exchangeable wavelengths usable for both end-stations, a unique service and alignment concept and the latest Dectris detector technique, this system tackles their most demanding applications.

STOE USER TALK held at the STOE USER MEETING 2022 featuring Friedemann Hahn, STOE

30min.

STOE USER TALK held at the STOE USER MEETING 2022 faturing Paolo Celani
30min.

STOE USER TALK held at the STOE USER MEETING 2022 featuring Laura C. Folkers.
10 Min.