Materials Data on Sc2Pt2O7 by Materials Project

Abstract

Sc2Pt2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sc3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.16 Å) and six longer (2.31 Å) Sc–O bond lengths. Pt4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Pt–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sc3+ and two equivalent Pt4+ atoms to form a mixture of edge and corner-sharing OSc2Pt2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Sc3+ atoms to form a mixture of edge and corner-sharing OSc4 tetrahedra.