Tl2Ru2O7 crystallizes in the cubic Fd-3m space group. Ru(1) is bonded to six equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and edges with six equivalent Tl(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. Tl(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted TlO8 hexagonal bipyramids that share edges with six equivalent Tl(1)O8 hexagonal bipyramids and edges with six equivalent Ru(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Tl(1) atoms to form OTl4 tetrahedra that share corners with four equivalent O(1)Tl4 tetrahedra, corners with twelve equivalent O(2)Tl2Ru2 tetrahedra, and edges with six equivalent O(2)Tl2Ru2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ru(1) and two equivalent Tl(1) atoms to form distorted OTl2Ru2 tetrahedra that share corners with two equivalent O(1)Tl4 tetrahedra, corners with twelve equivalent O(2)Tl2Ru2 tetrahedra,  an edgeedge with one O(1)Tl4 tetrahedra, and edges with four equivalent O(2)Tl2Ru2 tetrahedra.
Tl2Ru2O7 crystallizes in the cubic Fd-3m space group. Ru(1) is bonded to six equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and edges with six equivalent Tl(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. All Ru(1)-O(2) bond lengths are 1.97 Å. Tl(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted TlO8 hexagonal bipyramids that share edges with six equivalent Tl(1)O8 hexagonal bipyramids and edges with six equivalent Ru(1)O6 octahedra. Both Tl(1)-O(1) bond lengths are 2.22 Å. All Tl(1)-O(2) bond lengths are 2.55 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Tl(1) atoms to form OTl4 tetrahedra that share corners with four equivalent O(1)Tl4 tetrahedra, corners with twelve equivalent O(2)Tl2Ru2 tetrahedra, and edges with six equivalent O(2)Tl2Ru2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ru(1) and two equivalent Tl(1) atoms to form distorted OTl2Ru2 tetrahedra that share corners with two equivalent O(1)Tl4 tetrahedra, corners with twelve equivalent O(2)Tl2Ru2 tetrahedra,  an edgeedge with one O(1)Tl4 tetrahedra, and edges with four equivalent O(2)Tl2Ru2 tetrahedra.