NdY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form NdY12 cuboctahedra that share corners with four equivalent Nd(1)Y12 cuboctahedra, corners with eight equivalent Y(2)Nd4Y8 cuboctahedra, edges with eight equivalent Nd(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Nd4Y8 cuboctahedra, faces with four equivalent Nd(1)Y12 cuboctahedra, faces with six equivalent Y(2)Nd4Y8 cuboctahedra, and faces with eight equivalent Y(1)Nd4Y8 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Nd(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YNd4Y8 cuboctahedra that share corners with twelve equivalent Y(1)Nd4Y8 cuboctahedra, edges with eight equivalent Nd(1)Y12 cuboctahedra, edges with eight equivalent Y(1)Nd4Y8 cuboctahedra, edges with eight equivalent Y(2)Nd4Y8 cuboctahedra, faces with four equivalent Nd(1)Y12 cuboctahedra, faces with four equivalent Y(2)Nd4Y8 cuboctahedra, and faces with ten equivalent Y(1)Nd4Y8 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent Nd(1) and eight equivalent Y(1) atoms to form YNd4Y8 cuboctahedra that share corners with four equivalent Y(2)Nd4Y8 cuboctahedra, corners with eight equivalent Nd(1)Y12 cuboctahedra, edges with eight equivalent Y(2)Nd4Y8 cuboctahedra, edges with sixteen equivalent Y(1)Nd4Y8 cuboctahedra, faces with four equivalent Y(2)Nd4Y8 cuboctahedra, faces with six equivalent Nd(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Nd4Y8 cuboctahedra.
NdY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form NdY12 cuboctahedra that share corners with four equivalent Nd(1)Y12 cuboctahedra, corners with eight equivalent Y(2)Nd4Y8 cuboctahedra, edges with eight equivalent Nd(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Nd4Y8 cuboctahedra, faces with four equivalent Nd(1)Y12 cuboctahedra, faces with six equivalent Y(2)Nd4Y8 cuboctahedra, and faces with eight equivalent Y(1)Nd4Y8 cuboctahedra. All Nd(1)-Y(2) bond lengths are 3.64 Å. All Nd(1)-Y(1) bond lengths are 3.62 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Nd(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YNd4Y8 cuboctahedra that share corners with twelve equivalent Y(1)Nd4Y8 cuboctahedra, edges with eight equivalent Nd(1)Y12 cuboctahedra, edges with eight equivalent Y(1)Nd4Y8 cuboctahedra, edges with eight equivalent Y(2)Nd4Y8 cuboctahedra, faces with four equivalent Nd(1)Y12 cuboctahedra, faces with four equivalent Y(2)Nd4Y8 cuboctahedra, and faces with ten equivalent Y(1)Nd4Y8 cuboctahedra. All Y(1)-Y(1) bond lengths are 3.64 Å. All Y(1)-Y(2) bond lengths are 3.62 Å. In the second Y site, Y(2) is bonded to four equivalent Nd(1) and eight equivalent Y(1) atoms to form YNd4Y8 cuboctahedra that share corners with four equivalent Y(2)Nd4Y8 cuboctahedra, corners with eight equivalent Nd(1)Y12 cuboctahedra, edges with eight equivalent Y(2)Nd4Y8 cuboctahedra, edges with sixteen equivalent Y(1)Nd4Y8 cuboctahedra, faces with four equivalent Y(2)Nd4Y8 cuboctahedra, faces with six equivalent Nd(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Nd4Y8 cuboctahedra.