AgTl3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ag(1) is bonded to four equivalent Tl(2) and eight equivalent Tl(1) atoms to form AgTl12 cuboctahedra that share corners with four equivalent Ag(1)Tl12 cuboctahedra, corners with eight equivalent Tl(2)Tl8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Tl12 cuboctahedra, edges with sixteen equivalent Tl(1)Tl8Ag4 cuboctahedra, faces with four equivalent Ag(1)Tl12 cuboctahedra, faces with six equivalent Tl(2)Tl8Ag4 cuboctahedra, and faces with eight equivalent Tl(1)Tl8Ag4 cuboctahedra. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent Ag(1), four equivalent Tl(1), and four equivalent Tl(2) atoms to form TlTl8Ag4 cuboctahedra that share corners with twelve equivalent Tl(1)Tl8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Tl12 cuboctahedra, edges with eight equivalent Tl(1)Tl8Ag4 cuboctahedra, edges with eight equivalent Tl(2)Tl8Ag4 cuboctahedra, faces with four equivalent Ag(1)Tl12 cuboctahedra, faces with four equivalent Tl(2)Tl8Ag4 cuboctahedra, and faces with ten equivalent Tl(1)Tl8Ag4 cuboctahedra. In the second Tl site, Tl(2) is bonded to four equivalent Ag(1) and eight equivalent Tl(1) atoms to form distorted TlTl8Ag4 cuboctahedra that share corners with four equivalent Tl(2)Tl8Ag4 cuboctahedra, corners with eight equivalent Ag(1)Tl12 cuboctahedra, edges with eight equivalent Tl(2)Tl8Ag4 cuboctahedra, edges with sixteen equivalent Tl(1)Tl8Ag4 cuboctahedra, faces with four equivalent Tl(2)Tl8Ag4 cuboctahedra, faces with six equivalent Ag(1)Tl12 cuboctahedra, and faces with eight equivalent Tl(1)Tl8Ag4 cuboctahedra.
AgTl3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ag(1) is bonded to four equivalent Tl(2) and eight equivalent Tl(1) atoms to form AgTl12 cuboctahedra that share corners with four equivalent Ag(1)Tl12 cuboctahedra, corners with eight equivalent Tl(2)Tl8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Tl12 cuboctahedra, edges with sixteen equivalent Tl(1)Tl8Ag4 cuboctahedra, faces with four equivalent Ag(1)Tl12 cuboctahedra, faces with six equivalent Tl(2)Tl8Ag4 cuboctahedra, and faces with eight equivalent Tl(1)Tl8Ag4 cuboctahedra. All Ag(1)-Tl(2) bond lengths are 3.32 Å. All Ag(1)-Tl(1) bond lengths are 3.45 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent Ag(1), four equivalent Tl(1), and four equivalent Tl(2) atoms to form TlTl8Ag4 cuboctahedra that share corners with twelve equivalent Tl(1)Tl8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Tl12 cuboctahedra, edges with eight equivalent Tl(1)Tl8Ag4 cuboctahedra, edges with eight equivalent Tl(2)Tl8Ag4 cuboctahedra, faces with four equivalent Ag(1)Tl12 cuboctahedra, faces with four equivalent Tl(2)Tl8Ag4 cuboctahedra, and faces with ten equivalent Tl(1)Tl8Ag4 cuboctahedra. All Tl(1)-Tl(1) bond lengths are 3.32 Å. All Tl(1)-Tl(2) bond lengths are 3.45 Å. In the second Tl site, Tl(2) is bonded to four equivalent Ag(1) and eight equivalent Tl(1) atoms to form distorted TlTl8Ag4 cuboctahedra that share corners with four equivalent Tl(2)Tl8Ag4 cuboctahedra, corners with eight equivalent Ag(1)Tl12 cuboctahedra, edges with eight equivalent Tl(2)Tl8Ag4 cuboctahedra, edges with sixteen equivalent Tl(1)Tl8Ag4 cuboctahedra, faces with four equivalent Tl(2)Tl8Ag4 cuboctahedra, faces with six equivalent Ag(1)Tl12 cuboctahedra, and faces with eight equivalent Tl(1)Tl8Ag4 cuboctahedra.