Materials Data on Nd3(GaNi3)2 by Materials Project

Abstract

Nd3(Ni3Ga)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Ga atoms. There are four shorter (2.83 Å) and four longer (3.09 Å) Nd–Ni bond lengths. All Nd–Ga bond lengths are 3.22 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Nd, six equivalent Ni, and two equivalent Ga atoms. There are four shorter (2.62 Å) and two longer (2.95 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.53 Å. Ga is bonded to six equivalent Nd and six equivalent Ni atoms to form a mixture of face and corner-sharing GaNd6Ni6 cuboctahedra.