Large, larger, largest – a family of cluster-based tantalum copper aluminides with giant unit cells. I. Structure solution and refinement

Weber, T.; Dshemuchadse, J.; Kobas, M.; Conrad, M.; Harbrecht, B.; Steurer, W.

doi:10.1107/S0108768109014001

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 6
Electron-density distribution around the positions of Al6–8, as calculated by MEM based on a very large X-ray diffraction dataset. One sees that the triple-split position of Al7 is even a tetrahedral one, and the double-split position of Al8 a triangular one. The underlying rhombic dodecahedron, which is the innermost shell of the fullerene cluster, is drawn (see also Fig. 1a of part II). The high density in the centre is caused by a Ta atom. For clarity, electron densities in the back of the rhombic dodecahedron are shown as blue shadows only.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 65| Part 3| May 2009| Pages 308-317

doi:10.1107/S0108768109014001

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