Bergen Workshop: Methods of high-pressure single-crystal diffraction

Following the success of the Darmstadt workshop in 2010 the same group of teachers offered a very similar course as a workshop associated with the ECM27 meeting that was held in Bergen (Norway) in August 2012. The workshop was hosted on the campus of the University of Bergen, on August 4-5th, 2012.

Convenors: Karen Friese (Julich) & Tonci Balic-Zunic (Copenhagen)
Programme: Ross Angel (Padua) & Tiziana Boffa-Ballaran (Bayreuth)
Organising Committee: Karl Törnroos (Bergen), Andrzej Grzechnik (Aachen), Clivia Hejny (Innsbruck), Ronald Miletich (Vienna)

At the workshop we introduced people with experience in single-crystal diffraction at ambient pressures to the techniques required to perform single-crystal diffraction at high pressures with diamond-anvil cells. The workshop attracted researchers from many fields (chemistry, physics, geology, and materials science) at all levels of experience with high-pressure single-crystal x-ray diffraction ranging from beginners to experts. More than one third of the participants were PhD students. On completion of the workshop the participants now have the knowledge to collect their own high-pressure single-crystal diffraction data in both their home labs and at synchrotron beamlines, to reduce the data and refine the crystal structures. The full content of the workshop is listed in the workshop programme, and copies of the presentations are available as pdf files. Links to them are at the bottom of this page.

The generous support of Agilent Technologies (former Oxford Diffraction), Stoe & Cie GmbH, Incoatec GmbH, Bruker, Almax, SciMed and the European Mineralogical Union allowed us to keep the registration costs down and to offer travel grants to some student participants.

Presentations for download

Programme of Workshop

Day 1 Morning

Introduction to Workshop. Provides an overview of the topics covered in the workshop, and a workflow for high-pressure single-crystal diffraction data collection, data reduction, and refinement

Types of DACs and how to load them.

Data collection procedures.

Equations of State.

Day 1 Afternoon: Indexing and Integration Software for DAC experiments

An overview of Data Collection and Integration software: principles.

An overview of Data Collection and Integration software: practical aspects.

Integration with Crysalis.

Integration with Bruker software.

Integration for Stoe image plates.

Integration for Stoe Pilatus.

Integration with XDS.

Integration for point detectors.

Day 2

How to perform HP single-crystal diffraction at Diamond.

How to perform HP single-crystal diffraction at ESRF.

The principles of performing absorption corrections.

General principles of refinements to HP data.

Performing absoprtion corrections with the Absorb program.

HP refinements with Jana2006.

Post-refinement data handling: cif's, cifChecker, etc.