Materials Data on Tl2Pb2O7 by Materials Project

Abstract

Tl2Pb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tl3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.35 Å) and six longer (2.55 Å) Tl–O bond lengths. Pb4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Pb–O bond lengths are 2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tl3+ and two equivalent Pb4+ atoms to form a mixture of distorted corner and edge-sharing OTl2Pb2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tl3+ atoms to form a mixture of corner and edge-sharing OTl4 tetrahedra.