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X-ray diffraction studies on eleven single crystals having compositional ratios close to Yb/(Fe,Al) = 2:17 revealed four distinctly different structures, two having hexagonal symmetry (LuFe 9.5  and TbCu 7  type) at low and intermediate Al and Yb contents (0–7.5 at Al; 9.6–10.6 at Yb and 11.2–12.5 at Al; 10.5–10.9 at Yb), respectively, and two having rhombohedral symmetry (PrFe 7 (A) and PrFe 7 (A + B) types) at high Al and Yb contents (9.8–19.8 at Al; 10.7–11.6 at Yb). All have a common hexagonal TbCu 7  type subcell and contain chains made up of Yb and Fe(Al) 2  dumbbells running along the  c -axis that substitute for each other with various ordering schemes and concentrations. The subcell ratio  c / a  depends on both the concentration of Fe(Al) 2  dumbbells, for which it generally increases, and the structure type (dumbbell order). We define an order parameter capable of describing the dependency of the subcell ratio  c / a  on the Fe(Al) 2  dumbbell ordering, irrespective of structure type, as the probability of finding two Fe(Al) 2  dumbbells within a chain that are separated by one Yb atom only. Aluminium substitutes for iron mainly on non-dumbbell sites at low Al contents (LuFe 9.5  and TbCu 7  type) and enters Fe 2  dumbbell sites only at high Al contents (TbCu 7  type and PrFe 7  type derivatives). The bond distances in the mixed Fe(Al) 2  dumbbells increase with increasing Al content. Those in the Fe 2  dumbbells depend on the dumbbell order (within one or between different structure types), and less on the Al content of the crystal.

Structure of iron-rich compounds in the Yb–Fe–Al system