Acta Crystallographica Section B

Structural Science, Crystal Engineering and Materials

Volume 69, Part 3 (June 2013)

research papers

Acta Cryst. (2013). B69, 238-248    [ doi:10.1107/S2052519213012761 ]

A new complex intermetallic phase in the system Al-Cu-Ta with familiar clusters and packing principles

J. Dshemuchadse, S. Bigler, A. Simonov, T. Weber and W. Steurer

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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[ doi:10.1107/S2052519213012761/sn5123sup3.pdf ]
Diffuse scattering plots


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