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GaNd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.17–3.28 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Nd and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.64 Å.
NdGa2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ga atoms to form a mixture of edge and face-sharing NdGa12 cuboctahedra. All Nd–Ga bond lengths are 3.28 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.47 Å.
NdGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ga atoms to form a mixture of face and corner-sharing NdGa12 cuboctahedra. All Nd–Ga bond lengths are 3.10 Å. Ga is bonded in a distorted square co-planar geometry to four equivalent Nd atoms.
GaNd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to eight equivalent Nd and four equivalent Ga atoms to form distorted NdNd8Ga4 cuboctahedra that share corners with twelve equivalent NdNd8Ga4 cuboctahedra, edges with eight equivalent GaNd12 cuboctahedra, edges with sixteen equivalent NdNd8Ga4 cuboctahedra, faces with four equivalent GaNd12 cuboctahedra, and faces with fourteen equivalent NdNd8Ga4 cuboctahedra. All Nd–Nd bond lengths are 3.44 Å. All Nd–Ga bond lengths are 3.44 Å. Ga is bonded to twelve equivalent Nd atoms to form GaNd12 cuboctahedra that share corners with twelve equivalent GaNd12 cuboctahedra, edges with twenty-four equivalent NdNd8Ga4 cuboctahedra, faces with six equivalent GaNd12 cuboctahedra, and faces with twelve equivalent NdNd8Ga4 cuboctahedra.
NdGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ga atoms to form a mixture of distorted face and corner-sharing NdGa12 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.24 Å) Nd–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to four equivalent Nd and six equivalent Ga atoms. There are two shorter (2.78 Å) and four longer (2.81 Å) Ga–Ga bond lengths.