Materials Data on Li3Fe2(GeO4)3 by Materials Project

Abstract

Li3Fe2(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.31 Å) and four longer (2.47 Å) Li–O bond lengths. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Fe–O bond lengths are 1.96 Å. Ge is bonded to four equivalent O atoms to form GeO4 tetrahedra that share corners with four equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ge–O bond lengths are 1.78 Å. O is bonded to two equivalent Li, one Fe, and one Ge atom to form a mixture of distorted edge and corner-sharing OLi2FeGe trigonal pyramids.