Tl2Pt2O7 crystallizes in the cubic Fd-3m space group. Pt(1) is bonded to six equivalent O(1) atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 51°. Tl(1) is bonded in a body-centered cubic 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 to two equivalent Pt(1) and two equivalent Tl(1) atoms to form distorted OTl2Pt2 tetrahedra that share corners with two equivalent O(2)Tl4 tetrahedra, corners with twelve equivalent O(1)Tl2Pt2 tetrahedra,  an edgeedge with one O(2)Tl4 tetrahedra, and edges with four equivalent O(1)Tl2Pt2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Tl(1) atoms to form OTl4 tetrahedra that share corners with four equivalent O(2)Tl4 tetrahedra, corners with twelve equivalent O(1)Tl2Pt2 tetrahedra, and edges with six equivalent O(1)Tl2Pt2 tetrahedra.
Tl2Pt2O7 crystallizes in the cubic Fd-3m space group. Pt(1) is bonded to six equivalent O(1) atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Pt(1)-O(1) bond lengths are 2.00 Å. Tl(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Both Tl(1)-O(2) bond lengths are 2.21 Å. All Tl(1)-O(1) bond lengths are 2.47 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pt(1) and two equivalent Tl(1) atoms to form distorted OTl2Pt2 tetrahedra that share corners with two equivalent O(2)Tl4 tetrahedra, corners with twelve equivalent O(1)Tl2Pt2 tetrahedra,  an edgeedge with one O(2)Tl4 tetrahedra, and edges with four equivalent O(1)Tl2Pt2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Tl(1) atoms to form OTl4 tetrahedra that share corners with four equivalent O(2)Tl4 tetrahedra, corners with twelve equivalent O(1)Tl2Pt2 tetrahedra, and edges with six equivalent O(1)Tl2Pt2 tetrahedra.