Nd₃₉Ir_10.98In_36.02 – A complex intergrowth structure with CsCl- and AlB₂-related slabs

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 F2 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.

Structure and magnetic properties of RE4Ni2Mg3 with RE=Y, Tb−Tm and Lu – New representatives of the Ru4B2Al3 type

“…The crystal chemical details of these intergrowth variants have been summarized in different overviews. [39,[55][56][57][58] One of the very complex variants is the Nd 39 Ir 10.98 In 36.02 structure [59] with a total of 44 crystallographically independent sites, but still easily describable with the intergrowth mechanism.…”

Salt-flux growth of HoCuMg4 single crystals

“…14–20 The broadly varying compositions underline the geometric and electronic flexibility for such intergrowth structures. So far, the largest unit cell with 44 crystallographically independent atoms has been observed for Nd 39 Ir 10.98 In 36.02 21 and the closely related phases Sm 39 Ru 11.68 In 35 and Gd 39 Ru 11.68 In 35 . 20…”

R8-xRu3In7+x, R3Ru1-xIn3, R39Ru12-xIn35, and R16Ru5In14 (R=La-Nd, Sm, Gd-Er, Lu) - New ternary indides with 2D intergrowth of CsCl- and AlB2-related slabs

“…Formation of the new compounds from powder and single crystal data. Ru 1-x In 3 and R 16 Ru 5 In 14 compounds form with new types of IMCs, and R 39 Ru 12-x In 35 and R 8-x Ru 3 In 7+x are occupation variants of Nd 39 Ir 10.98 In 36.02[26] and Y 5 Cu 5 Mg 8[27] structures, respectively. The Nd 11 Pd 4 In 9 structure type[4] was described in detail in[4][5][6][7], so we will not analyze the isostructural Gd 11 Ru 4 In 9 and Tb 11 Ru 4 In 9 IMCs in the present work.…”