The Co-Ni distribution in decagonal Al69.7(4)Co10.0(4)Ni20.3(4)
Zeitschrift Fur Kristallographie 223(11-12): 863-867
The Co-Ni distribution in d-Al69.7(4)Co10.0(4)Ni20.3(4) was investigated based on X-ray and neutron diffraction data. The structure was modelled in higher dimensional space using the 'charge-flipping' and 'low-density elimination' methods and it was quantitatively refined in three-dimensional space employing a pseudo-approximant approach. In higher-dimensional description, the Co atoms are found at the centre of one of the two symmetry independent occupation domains, enclosed by regions mainly occupied by Ni. The other occupation domain is mostly occupied by Al. In physical space Co atoms are located in the centres of small Al pentagons and form pentagonal units, which are arranged in decagonal rings. On these sites Co is partly substituted by Ni, while all other transition metal sites are occupied by Ni and to a minor degree by Al. The fraction of Co found on transition metal sites decreases with decreasing Co-Co distances, whereby Co is replaced by Ni.