Materials Data on Gd3(GaNi3)2 by Materials Project

Abstract

Gd3(Ni3Ga)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Ga atoms. There are four shorter (2.77 Å) and four longer (3.06 Å) Gd–Ni bond lengths. All Gd–Ga bond lengths are 3.18 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Gd, six equivalent Ni, and two equivalent Ga atoms. There are four shorter (2.58 Å) and two longer (2.88 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.50 Å. Ga is bonded to six equivalent Gd and six equivalent Ni atoms to form a mixture of corner and face-sharing GaGd6Ni6 cuboctahedra.