Pt3TlO4 crystallizes in the cubic Fm-3m space group. Pt(1) is bonded in a square co-planar geometry to two equivalent Tl(1) and four equivalent O(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to twelve equivalent Pt(1) atoms to form TlPt12 cuboctahedra that share corners with twelve equivalent Tl(1)Pt12 cuboctahedra and edges with twenty-four equivalent O(1)TlPt3 tetrahedra. In the second Tl site, Tl(2) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. O(1) is bonded to three equivalent Pt(1) and one Tl(2) atom to form OTlPt3 tetrahedra that share corners with ten equivalent O(1)TlPt3 tetrahedra, edges with three equivalent Tl(1)Pt12 cuboctahedra, and edges with three equivalent O(1)TlPt3 tetrahedra.
Pt3TlO4 crystallizes in the cubic Fm-3m space group. Pt(1) is bonded in a square co-planar geometry to two equivalent Tl(1) and four equivalent O(1) atoms. Both Pt(1)-Tl(1) bond lengths are 3.43 Å. All Pt(1)-O(1) bond lengths are 2.02 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to twelve equivalent Pt(1) atoms to form TlPt12 cuboctahedra that share corners with twelve equivalent Tl(1)Pt12 cuboctahedra and edges with twenty-four equivalent O(1)TlPt3 tetrahedra. In the second Tl site, Tl(2) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Tl(2)-O(1) bond lengths are 2.40 Å. O(1) is bonded to three equivalent Pt(1) and one Tl(2) atom to form OTlPt3 tetrahedra that share corners with ten equivalent O(1)TlPt3 tetrahedra, edges with three equivalent Tl(1)Pt12 cuboctahedra, and edges with three equivalent O(1)TlPt3 tetrahedra.