Acta Cryst. (2013). B69, 238-248 [ doi:10.1107/S2052519213012761 ]
Abstract: The structure of hP386-Al57.4Cu3.6Ta39.0 was determined by single-crystal X-ray diffraction analysis. It can be described as a hexagonal close-packing of two types of endohedral fullerene-like clusters with different Frank-Kasper polyhedra filling the gaps. The description of the structure as a superstructure and as a layered structure illustrates other characteristic structural building principles. The diffuse scattering, which can be observed in some of the crystals, is qualitatively well reproduced by a disorder model. A comparison with the structures of the other complex intermetallics in the system Al-Cu-Ta indicates the decisive role that Cu plays in the constitution and packing of the clusters.
Keywords: clusters; close-packing; diffuse scattering; disorder.
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