Nd39Ir10.98In36.02 – A complex intergrowth structure with CsCl- and AlB2-related slabs

Abstract

Abstract The ternary indide Nd39Ir10.98In36.02 was synthesized by arc-melting and characterized by single crystal X-ray diffraction. Nd39Ir10.98In36.02 crystallizes with a new structure type: Pearson code oP172, Pbam, a = 3175.4(6), b = 3762.5(8), c = 378.02(8) pm, wR2 = 0.0828, 5544 F 2 values, and 262 variables. Although the structure contains 44 crystallographically independent sites, it can easily be explained as an intergrowth structure of CsCl and AlB2 related slabs. The larger indium atoms fill all distorted CsCl slabs. The trigonal prismatic (AlB2) slabs have no uniform size. The larger ones are filled by indium and the smaller ones by the iridium atoms. Additionally, one trigonal prism shows a mixed occupancy by indium and iridium. The crystal chemistry of Nd39Ir10.98In36.02 is discussed in the context of other intergrowth structures with the same simple slabs.