DOE OSTI2020
Tb11Pd4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to two equivalent Pd and six In atoms. Both Tb–Pd bond lengths are 2.89 Å. There are four shorter (3.24 Å) and two longer (3.40 Å) Tb–In bond lengths. In the second Tb site, Tb is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.31 Å) and four longer (3.41 Å) Tb–In bond lengths. In the third Tb site, Tb is bonded in a 10-coordinate geometry to four equivalent Pd and six In atoms. All Tb–Pd bond lengths are 2.98 Å. There are two shorter (3.34 Å) and four longer (3.40 Å) Tb–In bond lengths. In the fourth Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Pd and six In atoms. All Tb–Pd bond lengths are 2.94 Å. There are two shorter (3.42 Å) and four longer (3.45 Å) Tb–In bond lengths. In the fifth Tb site, Tb is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Tb–In bond lengths are 3.26 Å. Pd is bonded in a 9-coordinate geometry to six Tb and three In atoms. There are a spread of Pd–In bond distances ranging from 3.05–3.16 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Tb, one Pd, and one In atom. The In–In bond length is 3.14 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Tb, one Pd, and one In atom. The In–In bond length is 3.13 Å. In the third In site, In is bonded to eight Tb and four equivalent Pd atoms to form face-sharing InTb8Pd4 cuboctahedra.