Materials Data on Tl2Pt2O7 by Materials Project

Abstract

Tl2Pt2O7 crystallizes in the cubic Fd-3m 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 51°. All Pt–O bond lengths are 2.02 Å. Tl1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.24 Å) and six longer (2.50 Å) Tl–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pt6+ and two equivalent Tl1+ atoms to form a mixture of distorted corner and edge-sharing OTl2Pt2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tl1+ atoms to form OTl4 tetrahedra that share corners with sixteen OTl4 tetrahedra and edges with six equivalent OTl2Pt2 tetrahedra.