KNd3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form KNd12 cuboctahedra that share corners with four equivalent K(1)Nd12 cuboctahedra, corners with eight equivalent Nd(2)K4Nd8 cuboctahedra, edges with eight equivalent K(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)K4Nd8 cuboctahedra, faces with four equivalent K(1)Nd12 cuboctahedra, faces with six equivalent Nd(2)K4Nd8 cuboctahedra, and faces with eight equivalent Nd(1)K4Nd8 cuboctahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent K(1), four equivalent Nd(1), and four equivalent Nd(2) atoms to form NdK4Nd8 cuboctahedra that share corners with twelve equivalent Nd(1)K4Nd8 cuboctahedra, edges with eight equivalent K(1)Nd12 cuboctahedra, edges with eight equivalent Nd(1)K4Nd8 cuboctahedra, edges with eight equivalent Nd(2)K4Nd8 cuboctahedra, faces with four equivalent K(1)Nd12 cuboctahedra, faces with four equivalent Nd(2)K4Nd8 cuboctahedra, and faces with ten equivalent Nd(1)K4Nd8 cuboctahedra. In the second Nd site, Nd(2) is bonded to four equivalent K(1) and eight equivalent Nd(1) atoms to form distorted NdK4Nd8 cuboctahedra that share corners with four equivalent Nd(2)K4Nd8 cuboctahedra, corners with eight equivalent K(1)Nd12 cuboctahedra, edges with eight equivalent Nd(2)K4Nd8 cuboctahedra, edges with sixteen equivalent Nd(1)K4Nd8 cuboctahedra, faces with four equivalent Nd(2)K4Nd8 cuboctahedra, faces with six equivalent K(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)K4Nd8 cuboctahedra.
KNd3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form KNd12 cuboctahedra that share corners with four equivalent K(1)Nd12 cuboctahedra, corners with eight equivalent Nd(2)K4Nd8 cuboctahedra, edges with eight equivalent K(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)K4Nd8 cuboctahedra, faces with four equivalent K(1)Nd12 cuboctahedra, faces with six equivalent Nd(2)K4Nd8 cuboctahedra, and faces with eight equivalent Nd(1)K4Nd8 cuboctahedra. All K(1)-Nd(2) bond lengths are 3.77 Å. All K(1)-Nd(1) bond lengths are 3.83 Å. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent K(1), four equivalent Nd(1), and four equivalent Nd(2) atoms to form NdK4Nd8 cuboctahedra that share corners with twelve equivalent Nd(1)K4Nd8 cuboctahedra, edges with eight equivalent K(1)Nd12 cuboctahedra, edges with eight equivalent Nd(1)K4Nd8 cuboctahedra, edges with eight equivalent Nd(2)K4Nd8 cuboctahedra, faces with four equivalent K(1)Nd12 cuboctahedra, faces with four equivalent Nd(2)K4Nd8 cuboctahedra, and faces with ten equivalent Nd(1)K4Nd8 cuboctahedra. All Nd(1)-Nd(1) bond lengths are 3.77 Å. All Nd(1)-Nd(2) bond lengths are 3.83 Å. In the second Nd site, Nd(2) is bonded to four equivalent K(1) and eight equivalent Nd(1) atoms to form distorted NdK4Nd8 cuboctahedra that share corners with four equivalent Nd(2)K4Nd8 cuboctahedra, corners with eight equivalent K(1)Nd12 cuboctahedra, edges with eight equivalent Nd(2)K4Nd8 cuboctahedra, edges with sixteen equivalent Nd(1)K4Nd8 cuboctahedra, faces with four equivalent Nd(2)K4Nd8 cuboctahedra, faces with six equivalent K(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)K4Nd8 cuboctahedra.