Materials Data on In2Pt2O7 by Materials Project
Pt2In2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pt4+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Pt–O bond lengths are 2.02 Å. In3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.19 Å) and six longer (2.40 Å) In–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent In3+ atoms to form OIn4 tetrahedra that share corners with sixteen OIn4 tetrahedra and edges with six equivalent OIn2Pt2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Pt4+ and two equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing OIn2Pt2 tetrahedra.