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The structure of a cubic Al 69.5 Pd 23.0 Mn 6.2 Si 1.3  phase, which is referred as a 2/1 approximant of an icosahedral phase, was determined by means of single crystal X-ray structural analysis: space group  Pm  3  (No. 200),  a  = 20.211(2) Å,  V  = 8255.9(14) Å 3 , Mo K α  , ( λ  = 0.71069 Å); refined as Al 69.6 Pd 24.3 Mn 6.1 , atom/cell = 512.83,  F (000) = 11154.6,  μ  = 8.72 mm −1 ,  D  calc  = 4.95 Mgm −3 ,  R ( wR 2) = 0.0623(0.1691) for 2597 reflections with  I  &gt; 2.0 σ ( I ) and goodness of fit  S  = 1.096 for 165 variables. In the cubic 2/1 approximant structure, an atom cluster with about 20 Å in diameter locates at the origin of the unit cell. This large cluster can be described by nine atomic shells with icosahedral symmetry, where the atomic arrangements similar to the Bergman or double Mackay clusters are clearly identified together with the  τ -inflated relationships in their sizes. The icosahedral quasicrystals in Al–Pd– Mn system are considered to be realized by a quasi-periodic arrangement of the similar atom clusters.

Crystal structure of a cubic Al 70 Pd 23 Mn 6 Si; a 2/1 rational approximant of an icosahedral phase