CdBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Cd(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form CdBi12 cuboctahedra that share corners with four equivalent Cd(1)Bi12 cuboctahedra, corners with eight equivalent Bi(2)Cd4Bi8 cuboctahedra, edges with eight equivalent Cd(1)Bi12 cuboctahedra, edges with sixteen equivalent Bi(1)Cd4Bi8 cuboctahedra, faces with four equivalent Cd(1)Bi12 cuboctahedra, faces with six equivalent Bi(2)Cd4Bi8 cuboctahedra, and faces with eight equivalent Bi(1)Cd4Bi8 cuboctahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Cd(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted BiCd4Bi8 cuboctahedra that share corners with twelve equivalent Bi(1)Cd4Bi8 cuboctahedra, edges with eight equivalent Cd(1)Bi12 cuboctahedra, edges with eight equivalent Bi(1)Cd4Bi8 cuboctahedra, edges with eight equivalent Bi(2)Cd4Bi8 cuboctahedra, faces with four equivalent Cd(1)Bi12 cuboctahedra, faces with four equivalent Bi(2)Cd4Bi8 cuboctahedra, and faces with ten equivalent Bi(1)Cd4Bi8 cuboctahedra. In the second Bi site, Bi(2) is bonded to four equivalent Cd(1) and eight equivalent Bi(1) atoms to form BiCd4Bi8 cuboctahedra that share corners with four equivalent Bi(2)Cd4Bi8 cuboctahedra, corners with eight equivalent Cd(1)Bi12 cuboctahedra, edges with eight equivalent Bi(2)Cd4Bi8 cuboctahedra, edges with sixteen equivalent Bi(1)Cd4Bi8 cuboctahedra, faces with four equivalent Bi(2)Cd4Bi8 cuboctahedra, faces with six equivalent Cd(1)Bi12 cuboctahedra, and faces with eight equivalent Bi(1)Cd4Bi8 cuboctahedra.
CdBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Cd(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form CdBi12 cuboctahedra that share corners with four equivalent Cd(1)Bi12 cuboctahedra, corners with eight equivalent Bi(2)Cd4Bi8 cuboctahedra, edges with eight equivalent Cd(1)Bi12 cuboctahedra, edges with sixteen equivalent Bi(1)Cd4Bi8 cuboctahedra, faces with four equivalent Cd(1)Bi12 cuboctahedra, faces with six equivalent Bi(2)Cd4Bi8 cuboctahedra, and faces with eight equivalent Bi(1)Cd4Bi8 cuboctahedra. All Cd(1)-Bi(2) bond lengths are 3.59 Å. All Cd(1)-Bi(1) bond lengths are 3.47 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Cd(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted BiCd4Bi8 cuboctahedra that share corners with twelve equivalent Bi(1)Cd4Bi8 cuboctahedra, edges with eight equivalent Cd(1)Bi12 cuboctahedra, edges with eight equivalent Bi(1)Cd4Bi8 cuboctahedra, edges with eight equivalent Bi(2)Cd4Bi8 cuboctahedra, faces with four equivalent Cd(1)Bi12 cuboctahedra, faces with four equivalent Bi(2)Cd4Bi8 cuboctahedra, and faces with ten equivalent Bi(1)Cd4Bi8 cuboctahedra. All Bi(1)-Bi(1) bond lengths are 3.59 Å. All Bi(1)-Bi(2) bond lengths are 3.47 Å. In the second Bi site, Bi(2) is bonded to four equivalent Cd(1) and eight equivalent Bi(1) atoms to form BiCd4Bi8 cuboctahedra that share corners with four equivalent Bi(2)Cd4Bi8 cuboctahedra, corners with eight equivalent Cd(1)Bi12 cuboctahedra, edges with eight equivalent Bi(2)Cd4Bi8 cuboctahedra, edges with sixteen equivalent Bi(1)Cd4Bi8 cuboctahedra, faces with four equivalent Bi(2)Cd4Bi8 cuboctahedra, faces with six equivalent Cd(1)Bi12 cuboctahedra, and faces with eight equivalent Bi(1)Cd4Bi8 cuboctahedra.