Abstract
New single-crystal X-ray diffraction data have been obtained for the θ-phase of aluminum-copper (Al 2Cu). Results of the refinement are presented. The structure is found to be in accordance with the one determined by J. B. Friauf ( J. Amer. Chem. Soc. 49, 3107–3114 (1927)) . The compound crystallizes in the tetragonal space group I4 mcm (No. 140) with a unit cell of dimensions a = 6.067(1) and c = 4.877(1) Å. There are four formula-units per unit cell. A full-matrix least-squares refinement with 237 observed reflections and 8 parameters converged to R F = 0.032 ( wR = 0.037). In addition to more accurate values for the lattice parameters and the atomic coordinates, anisotropic temperature factors are obtained.
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