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A 6D structure model for face-centred icosahedral quasicrystals consisting of so-called pseudo-Mackay and mini-Bergman-type atomic clusters is proposed based on the structure model of the Al 69.1 Pd 22 Cr 2.1 Fe 6.8 3/2 cubic approximant crystal (with space group Pa 3 , a = 40.5 Å) Fujita et al. (2013). Acta Cryst . A 69 , 322–340. The cluster centres form an icosahedral close sphere packing generated by the occupation domains similar to those in the model proposed by Katz & Gratias J. Non-Cryst. Solids (1993), 153–154 , 187–195, but their size is smaller by a factor τ 2 τ = (1 + (5) 1/2 )/2. The clusters cover approximately 99.46% of the atomic structure, and the cluster arrangement exhibits 15 and 19 different local configurations, respectively, for the pseudo-Mackay and mini-Bergman-type clusters. The occupation domains that generate cluster shells are modelled and discussed in terms of structural disorder and local reorganization of the cluster arrangements (phason flip).
Yamada et al. (Mon,) studied this question.