Structure Refinement and Magnetic Properties of Ce2RuAl3 and a Group-Subgroup Scheme for Ce5Ru3Al2

The hexagonal Laves phase Ce2RuAl3 (≡ CeRu0.5Al1.5) was synthesized by high-frequencemelting of the elements in a sealed tantalum tube and subsequent annealing. The structure was refined from single-crystal X-ray diffraction data: MgZn2 type, P63/mmc, Z = 2, a = 565.38(9), c = 888.3(1) pm, wR2 = 0.0231, 193 F2 values and 13 parameters. The 2a (0.824 Ru + 0.176 Al) and 6h (0.956 Al + 0.044 Ru) Wyckoff positions show mixed occupancies leading to the composition CeRu0.48Al1.52 for the investigated crystal. The aluminum atoms build up Kagomé networks at z = 1/4 and z = 3/4 which are connected to a three-dimensional network by the ruthenium atoms. The cerium atoms fill cavities of coordination number 16 (3 Ru + 9 Al + 4 Ce) within the [RuAl3] network. The Ce2RuAl3 sample orders ferromagnetically at TC = 8.0(1) K. The cerium-rich aluminide Ce5Ru3Al2 shows unusually short Ce–Ru distances of 253 and 260 pm for the Ce1 position as a result of intermediate cerium valence. The structural distortions are discussed on the basis of a group-subgroup scheme for Pr5Ru3Al2 (space group I213) and the superstructure variant Ce5Ru3Al2 (space group R3).