Materials Data on In6Ge2PtO9 by Materials Project

Abstract

PtIn6Ge2O9 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pt2- is bonded to six equivalent In2+ atoms to form PtIn6 octahedra that share corners with six equivalent OIn6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–In bond lengths are 2.67 Å. In2+ is bonded in a 6-coordinate geometry to one Pt2- and five O2- atoms. There are four shorter (2.35 Å) and one longer (2.45 Å) In–O bond lengths. Ge4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ge–O bond lengths are 1.78 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent In2+ atoms to form OIn6 octahedra that share corners with six equivalent PtIn6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent In2+ and one Ge4+ atom.