Materials Data on Gd4Ga12Pd by Materials Project

Abstract

Gd4PdGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Gd is bonded to twelve Ga atoms to form GdGa12 cuboctahedra that share corners with twelve equivalent GdGa12 cuboctahedra, faces with six equivalent GdGa12 cuboctahedra, and faces with two equivalent PdGa6 octahedra. There are six shorter (3.32 Å) and six longer (3.35 Å) Gd–Ga bond lengths. Pd is bonded to six equivalent Ga atoms to form PdGa6 octahedra that share faces with eight equivalent GdGa12 cuboctahedra. All Pd–Ga bond lengths are 2.77 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to four equivalent Gd and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.03 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Gd, one Pd, and four equivalent Ga atoms.