Materials Data on Yb2In13Pd6 by Materials Project

Abstract

Yb2Pd6In13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.31 Å) and two longer (3.35 Å) Yb–Pd bond lengths. There are a spread of Yb–In bond distances ranging from 3.26–3.52 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Pd–In bond distances ranging from 2.71–3.05 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.87 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.76–2.85 Å. There are seven inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to three equivalent Yb, four Pd, and five In atoms. There are four shorter (3.24 Å) and one longer (3.29 Å) In–In bond lengths. In the second In site, In is bonded in a 4-coordinate geometry to one Yb, four Pd, and one In atom. In the third In site, In is bonded in a 5-coordinate geometry to one Yb and five Pd atoms. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Yb and three Pd atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Yb and three Pd atoms. In the sixth In site, In is bonded in a distorted trigonal non-coplanar geometry to one Yb, three Pd, and two equivalent In atoms. In the seventh In site, In is bonded in a distorted linear geometry to two equivalent Yb and two equivalent Pd atoms.