KYb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent Yb(2) and eight equivalent Yb(1) atoms to form KYb12 cuboctahedra that share corners with four equivalent K(1)Yb12 cuboctahedra, corners with eight equivalent Yb(2)K4Yb8 cuboctahedra, edges with eight equivalent K(1)Yb12 cuboctahedra, edges with sixteen equivalent Yb(1)K4Yb8 cuboctahedra, faces with four equivalent K(1)Yb12 cuboctahedra, faces with six equivalent Yb(2)K4Yb8 cuboctahedra, and faces with eight equivalent Yb(1)K4Yb8 cuboctahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to four equivalent K(1), four equivalent Yb(1), and four equivalent Yb(2) atoms to form YbK4Yb8 cuboctahedra that share corners with twelve equivalent Yb(1)K4Yb8 cuboctahedra, edges with eight equivalent K(1)Yb12 cuboctahedra, edges with eight equivalent Yb(1)K4Yb8 cuboctahedra, edges with eight equivalent Yb(2)K4Yb8 cuboctahedra, faces with four equivalent K(1)Yb12 cuboctahedra, faces with four equivalent Yb(2)K4Yb8 cuboctahedra, and faces with ten equivalent Yb(1)K4Yb8 cuboctahedra. In the second Yb site, Yb(2) is bonded to four equivalent K(1) and eight equivalent Yb(1) atoms to form YbK4Yb8 cuboctahedra that share corners with four equivalent Yb(2)K4Yb8 cuboctahedra, corners with eight equivalent K(1)Yb12 cuboctahedra, edges with eight equivalent Yb(2)K4Yb8 cuboctahedra, edges with sixteen equivalent Yb(1)K4Yb8 cuboctahedra, faces with four equivalent Yb(2)K4Yb8 cuboctahedra, faces with six equivalent K(1)Yb12 cuboctahedra, and faces with eight equivalent Yb(1)K4Yb8 cuboctahedra.
KYb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent Yb(2) and eight equivalent Yb(1) atoms to form KYb12 cuboctahedra that share corners with four equivalent K(1)Yb12 cuboctahedra, corners with eight equivalent Yb(2)K4Yb8 cuboctahedra, edges with eight equivalent K(1)Yb12 cuboctahedra, edges with sixteen equivalent Yb(1)K4Yb8 cuboctahedra, faces with four equivalent K(1)Yb12 cuboctahedra, faces with six equivalent Yb(2)K4Yb8 cuboctahedra, and faces with eight equivalent Yb(1)K4Yb8 cuboctahedra. All K(1)-Yb(2) bond lengths are 4.03 Å. All K(1)-Yb(1) bond lengths are 4.07 Å. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to four equivalent K(1), four equivalent Yb(1), and four equivalent Yb(2) atoms to form YbK4Yb8 cuboctahedra that share corners with twelve equivalent Yb(1)K4Yb8 cuboctahedra, edges with eight equivalent K(1)Yb12 cuboctahedra, edges with eight equivalent Yb(1)K4Yb8 cuboctahedra, edges with eight equivalent Yb(2)K4Yb8 cuboctahedra, faces with four equivalent K(1)Yb12 cuboctahedra, faces with four equivalent Yb(2)K4Yb8 cuboctahedra, and faces with ten equivalent Yb(1)K4Yb8 cuboctahedra. All Yb(1)-Yb(1) bond lengths are 4.03 Å. All Yb(1)-Yb(2) bond lengths are 4.07 Å. In the second Yb site, Yb(2) is bonded to four equivalent K(1) and eight equivalent Yb(1) atoms to form YbK4Yb8 cuboctahedra that share corners with four equivalent Yb(2)K4Yb8 cuboctahedra, corners with eight equivalent K(1)Yb12 cuboctahedra, edges with eight equivalent Yb(2)K4Yb8 cuboctahedra, edges with sixteen equivalent Yb(1)K4Yb8 cuboctahedra, faces with four equivalent Yb(2)K4Yb8 cuboctahedra, faces with six equivalent K(1)Yb12 cuboctahedra, and faces with eight equivalent Yb(1)K4Yb8 cuboctahedra.