Materials Data on Li3Ni2(GeO4)3 by Materials Project

Abstract

Li3Ni2(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 (2.27 Å) and four longer (2.39 Å) Li–O bond lengths. Ni is bonded to six equivalent O atoms to form NiO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ni–O bond lengths are 1.88 Å. Ge is bonded to four equivalent O atoms to form GeO4 tetrahedra that share corners with four equivalent NiO6 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 Ni, and one Ge atom to form a mixture of distorted edge and corner-sharing OLi2NiGe trigonal pyramids.