Materials Data on Li2CaGeO4 by Materials Project

Abstract

Li2CaGeO4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent GeO4 tetrahedra and corners with four equivalent LiO4 trigonal pyramids. All Li–O bond lengths are 1.99 Å. Ca2+ is bonded in a 4-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.38 Å) and four longer (2.85 Å) Ca–O bond lengths. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with eight equivalent LiO4 trigonal pyramids. All Ge–O bond lengths are 1.78 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, two equivalent Ca2+, and one Ge4+ atom.