A local and medium range atomic structure model for the face centred
icosahedral (fci) Mg25Y11Zn64 alloy has been established in a sphere of r = 27
A. The model was refined by least squares techniques using the atomic pair
distribution (PDF) function obtained from synchrotron powder diffraction. Three
hierarchies of the atomic arrangement can be found: (i) five types of local
coordination polyhedra for the single atoms, four of which are of Frank-Kasper
type. In turn, they (ii) form a three-shell (Bergman) cluster containing 104
atoms, which is condensed sharing its outer shell with its neighbouring
clusters and (iii) a cluster connecting scheme corresponding to a
three-dimensional tiling leaving space for few glue atoms. Inside adjacent
clusters, Y8-cubes are tilted with respect to each other and thus allow for
overall icosahedral symmetry. It is shown that the title compound is
essentially isomorphic to its holmium analogue. Therefore fci-Mg-Y-Zn can be
seen as the representative structure type for the other rare earth analogues
fci-Mg-Zn-RE (RE = Dy, Er, Ho, Tb) reported in the literature.Comment: 12 pages, 8 figures, 2 table