NaTl crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent Tl(1) and four equivalent Tl(2) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to eight equivalent Na(1), two equivalent Tl(1), and two equivalent Tl(2) atoms to form a mixture of edge, corner, and face-sharing TlNa8Tl4 cuboctahedra. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to eight equivalent Na(1) and two equivalent Tl(1) atoms.
NaTl crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent Tl(1) and four equivalent Tl(2) atoms. There are two shorter (3.47 Å) and two longer (3.65 Å) Na(1)-Tl(1) bond lengths. There are a spread of Na(1)-Tl(2) bond distances ranging from 3.15-3.61 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to eight equivalent Na(1), two equivalent Tl(1), and two equivalent Tl(2) atoms to form a mixture of edge, corner, and face-sharing TlNa8Tl4 cuboctahedra. Both Tl(1)-Tl(1) bond lengths are 3.17 Å. Both Tl(1)-Tl(2) bond lengths are 3.15 Å. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to eight equivalent Na(1) and two equivalent Tl(1) atoms.