NaTlO crystallizes in the hexagonal P6_3mc space group. Na(1) is bonded in a 3-coordinate geometry to one Tl(1) and three equivalent O(1) atoms. Tl(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1) and three equivalent O(1) atoms. O(1) is bonded to three equivalent Na(1) and three equivalent Tl(1) atoms to form edge-sharing ONa3Tl3 octahedra.
NaTlO crystallizes in the hexagonal P6_3mc space group. Na(1) is bonded in a 3-coordinate geometry to one Tl(1) and three equivalent O(1) atoms. The Na(1)-Tl(1) bond length is 3.17 Å. All Na(1)-O(1) bond lengths are 2.29 Å. Tl(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1) and three equivalent O(1) atoms. All Tl(1)-O(1) bond lengths are 2.47 Å. O(1) is bonded to three equivalent Na(1) and three equivalent Tl(1) atoms to form edge-sharing ONa3Tl3 octahedra.