Materials Data on Nd2Al3Ga by Materials Project

Abstract

Nd2GaAl3 is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to three equivalent Ga and nine equivalent Al atoms. All Nd–Ga bond lengths are 3.32 Å. There are six shorter (3.33 Å) and three longer (3.34 Å) Nd–Al bond lengths. Ga is bonded to six equivalent Nd and six equivalent Al atoms to form GaNd6Al6 cuboctahedra that share corners with six equivalent GaNd6Al6 cuboctahedra, corners with twelve equivalent AlNd6Al4Ga2 cuboctahedra, edges with six equivalent GaNd6Al6 cuboctahedra, and faces with eighteen equivalent AlNd6Al4Ga2 cuboctahedra. All Ga–Al bond lengths are 2.84 Å. Al is bonded to six equivalent Nd, two equivalent Ga, and four equivalent Al atoms to form AlNd6Al4Ga2 cuboctahedra that share corners with four equivalent GaNd6Al6 cuboctahedra, corners with fourteen equivalent AlNd6Al4Ga2 cuboctahedra, edges with six equivalent AlNd6Al4Ga2 cuboctahedra, faces with six equivalent GaNd6Al6 cuboctahedra, and faces with twelve equivalent AlNd6Al4Ga2 cuboctahedra. All Al–Al bond lengths are 2.83 Å.