Na3Tl is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(1), four equivalent Na(2), and four equivalent Tl(1) atoms to form distorted NaNa8Tl4 cuboctahedra that share corners with twelve equivalent Na(1)Na8Tl4 cuboctahedra, edges with eight equivalent Na(1)Na8Tl4 cuboctahedra, edges with eight equivalent Na(2)Na8Tl4 cuboctahedra, edges with eight equivalent Tl(1)Na12 cuboctahedra, faces with four equivalent Na(2)Na8Tl4 cuboctahedra, faces with four equivalent Tl(1)Na12 cuboctahedra, and faces with ten equivalent Na(1)Na8Tl4 cuboctahedra. In the second Na site, Na(2) is bonded to eight equivalent Na(1) and four equivalent Tl(1) atoms to form distorted NaNa8Tl4 cuboctahedra that share corners with four equivalent Na(2)Na8Tl4 cuboctahedra, corners with eight equivalent Tl(1)Na12 cuboctahedra, edges with eight equivalent Na(2)Na8Tl4 cuboctahedra, edges with sixteen equivalent Na(1)Na8Tl4 cuboctahedra, faces with four equivalent Na(2)Na8Tl4 cuboctahedra, faces with six equivalent Tl(1)Na12 cuboctahedra, and faces with eight equivalent Na(1)Na8Tl4 cuboctahedra. Tl(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form TlNa12 cuboctahedra that share corners with four equivalent Tl(1)Na12 cuboctahedra, corners with eight equivalent Na(2)Na8Tl4 cuboctahedra, edges with eight equivalent Tl(1)Na12 cuboctahedra, edges with sixteen equivalent Na(1)Na8Tl4 cuboctahedra, faces with four equivalent Tl(1)Na12 cuboctahedra, faces with six equivalent Na(2)Na8Tl4 cuboctahedra, and faces with eight equivalent Na(1)Na8Tl4 cuboctahedra.
Na3Tl is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(1), four equivalent Na(2), and four equivalent Tl(1) atoms to form distorted NaNa8Tl4 cuboctahedra that share corners with twelve equivalent Na(1)Na8Tl4 cuboctahedra, edges with eight equivalent Na(1)Na8Tl4 cuboctahedra, edges with eight equivalent Na(2)Na8Tl4 cuboctahedra, edges with eight equivalent Tl(1)Na12 cuboctahedra, faces with four equivalent Na(2)Na8Tl4 cuboctahedra, faces with four equivalent Tl(1)Na12 cuboctahedra, and faces with ten equivalent Na(1)Na8Tl4 cuboctahedra. All Na(1)-Na(1) bond lengths are 3.46 Å. All Na(1)-Na(2) bond lengths are 3.46 Å. All Na(1)-Tl(1) bond lengths are 3.46 Å. In the second Na site, Na(2) is bonded to eight equivalent Na(1) and four equivalent Tl(1) atoms to form distorted NaNa8Tl4 cuboctahedra that share corners with four equivalent Na(2)Na8Tl4 cuboctahedra, corners with eight equivalent Tl(1)Na12 cuboctahedra, edges with eight equivalent Na(2)Na8Tl4 cuboctahedra, edges with sixteen equivalent Na(1)Na8Tl4 cuboctahedra, faces with four equivalent Na(2)Na8Tl4 cuboctahedra, faces with six equivalent Tl(1)Na12 cuboctahedra, and faces with eight equivalent Na(1)Na8Tl4 cuboctahedra. All Na(2)-Tl(1) bond lengths are 3.46 Å. Tl(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form TlNa12 cuboctahedra that share corners with four equivalent Tl(1)Na12 cuboctahedra, corners with eight equivalent Na(2)Na8Tl4 cuboctahedra, edges with eight equivalent Tl(1)Na12 cuboctahedra, edges with sixteen equivalent Na(1)Na8Tl4 cuboctahedra, faces with four equivalent Tl(1)Na12 cuboctahedra, faces with six equivalent Na(2)Na8Tl4 cuboctahedra, and faces with eight equivalent Na(1)Na8Tl4 cuboctahedra.