Structure refinement of decagonal Al–Ni–Co, superstructure type I

Abstract

The structure of decagonal Al–Ni–Co, superstructure type I (the so-called Edagawa phase), was refined in physical space. A statistical approach was used to calculate the structure factors based on a rhombic Penrose tiling, with tile edge length 12.1 Å, as reference frame. A total number of 691 parameters was refined against 6843 structure amplitudes, merged in Laue group 10/m.

Keywords:

• Edagawa phase
• superstructure type I
• decagonal quasicrystal

Acknowledgements

Pawel Kuczera's PhD fellowship at the Laboratory of Crystallography, ETH Zurich, is financed by SciexNMS^ch. This work has been supported by Ministry of Science and Higher Education of Poland. Structure optimisation calculations were performed in Academic Computer Center CYFRONET AGHon SGI Altix 3700 computer and financed under computational grant MNiSW/SGI3700/AGH/019/2010. We thank the staff of the Swiss-Norwegian beam line (SNBL) at the European Synchrotron Radiation Facility (ESRF) in Grenoble, France, for their support.