Nd3Y is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to six equivalent Nd(1) and six equivalent Nd(2) atoms to form NdNd12 cuboctahedra that share corners with six equivalent Nd(1)Nd12 cuboctahedra, corners with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with six equivalent Nd(1)Nd12 cuboctahedra, edges with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with twelve equivalent Nd(2)Nd9Y3 cuboctahedra, faces with six equivalent Nd(1)Nd12 cuboctahedra, and faces with twelve equivalent Nd(2)Nd9Y3 cuboctahedra. In the second Nd site, Nd(2) is bonded to three equivalent Nd(1), six equivalent Nd(2), and three equivalent Y(1) atoms to form NdNd9Y3 cuboctahedra that share corners with eighteen equivalent Nd(2)Nd9Y3 cuboctahedra, edges with six equivalent Nd(1)Nd12 cuboctahedra, edges with six equivalent Nd(2)Nd9Y3 cuboctahedra, edges with six equivalent Y(1)Nd6Y6 cuboctahedra, faces with six equivalent Nd(1)Nd12 cuboctahedra, faces with six equivalent Y(1)Nd6Y6 cuboctahedra, and faces with eight equivalent Nd(2)Nd9Y3 cuboctahedra. Y(1) is bonded to six equivalent Nd(2) and six equivalent Y(1) atoms to form YNd6Y6 cuboctahedra that share corners with six equivalent Nd(1)Nd12 cuboctahedra, corners with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with six equivalent Nd(1)Nd12 cuboctahedra, edges with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with twelve equivalent Nd(2)Nd9Y3 cuboctahedra, faces with six equivalent Y(1)Nd6Y6 cuboctahedra, and faces with twelve equivalent Nd(2)Nd9Y3 cuboctahedra.
Nd3Y is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to six equivalent Nd(1) and six equivalent Nd(2) atoms to form NdNd12 cuboctahedra that share corners with six equivalent Nd(1)Nd12 cuboctahedra, corners with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with six equivalent Nd(1)Nd12 cuboctahedra, edges with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with twelve equivalent Nd(2)Nd9Y3 cuboctahedra, faces with six equivalent Nd(1)Nd12 cuboctahedra, and faces with twelve equivalent Nd(2)Nd9Y3 cuboctahedra. All Nd(1)-Nd(1) bond lengths are 3.68 Å. All Nd(1)-Nd(2) bond lengths are 3.68 Å. In the second Nd site, Nd(2) is bonded to three equivalent Nd(1), six equivalent Nd(2), and three equivalent Y(1) atoms to form NdNd9Y3 cuboctahedra that share corners with eighteen equivalent Nd(2)Nd9Y3 cuboctahedra, edges with six equivalent Nd(1)Nd12 cuboctahedra, edges with six equivalent Nd(2)Nd9Y3 cuboctahedra, edges with six equivalent Y(1)Nd6Y6 cuboctahedra, faces with six equivalent Nd(1)Nd12 cuboctahedra, faces with six equivalent Y(1)Nd6Y6 cuboctahedra, and faces with eight equivalent Nd(2)Nd9Y3 cuboctahedra. All Nd(2)-Nd(2) bond lengths are 3.68 Å. All Nd(2)-Y(1) bond lengths are 3.61 Å. Y(1) is bonded to six equivalent Nd(2) and six equivalent Y(1) atoms to form YNd6Y6 cuboctahedra that share corners with six equivalent Nd(1)Nd12 cuboctahedra, corners with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with six equivalent Nd(1)Nd12 cuboctahedra, edges with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with twelve equivalent Nd(2)Nd9Y3 cuboctahedra, faces with six equivalent Y(1)Nd6Y6 cuboctahedra, and faces with twelve equivalent Nd(2)Nd9Y3 cuboctahedra. All Y(1)-Y(1) bond lengths are 3.68 Å.