Materials Data on Li3Ge3(MoO6)2 by Materials Project

Abstract

Li3Ge3(MoO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.39 Å) and four longer (2.53 Å) Li–O bond lengths. Mo+4.50+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Mo–O bond lengths are 2.02 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ge–O bond lengths are 1.77 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Mo+4.50+, and one Ge4+ atom.