Materials Data on LaPd5 by Materials Project

Abstract

LaPd5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a distorted hexagonal planar geometry to eighteen Pd atoms. There are six shorter (3.12 Å) and twelve longer (3.52 Å) La–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent La and eight Pd atoms to form a mixture of edge, face, and corner-sharing PdLa4Pd8 cuboctahedra. There are four shorter (2.70 Å) and four longer (2.74 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent La and nine Pd atoms. All Pd–Pd bond lengths are 3.12 Å.