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PtO3 is Upper Bainite-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Pt6+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Pt–O bond lengths are 1.97 Å. O2- is bonded in a bent 120 degrees geometry to two equivalent Pt6+ atoms.
NiPtO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one nickel molecule and one PtO3 framework. In the PtO3 framework, Pt4+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–O bond lengths are 1.98 Å. O2- is bonded in a linear geometry to two equivalent Pt4+ atoms.