Materials Data on Zn2Ge3O8 by Materials Project

Abstract

Zn2Ge3O8 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with nine equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–58°. There is three shorter (1.97 Å) and one longer (2.02 Å) Zn–O bond length. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with four equivalent GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.85–2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Zn2+ and three equivalent Ge4+ atoms to form distorted corner-sharing OZnGe3 trigonal pyramids. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Zn2+ and two equivalent Ge4+ atoms.