Nb2Tl2O7 crystallizes in the cubic Fd-3m space group. Nb(1) is bonded to six equivalent O(1) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 39°. Tl(1) is bonded in a distorted linear geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) and two equivalent Tl(1) atoms. In the second O site, O(2) is bonded to four equivalent Tl(1) atoms to form corner-sharing OTl4 tetrahedra.
Nb2Tl2O7 crystallizes in the cubic Fd-3m space group. Nb(1) is bonded to six equivalent O(1) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Nb(1)-O(1) bond lengths are 2.02 Å. Tl(1) is bonded in a distorted linear geometry to two equivalent O(2) and six equivalent O(1) atoms. Both Tl(1)-O(2) bond lengths are 2.33 Å. All Tl(1)-O(1) bond lengths are 2.78 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) and two equivalent Tl(1) atoms. In the second O site, O(2) is bonded to four equivalent Tl(1) atoms to form corner-sharing OTl4 tetrahedra.