Materials Data on Zn3Ni2(GeO4)3 by Materials Project

Abstract

Ni2Zn3(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ni–O bond lengths are 1.98 Å. Zn2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.24 Å) and four longer (2.40 Å) Zn–O bond lengths. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Ge–O bond lengths are 1.78 Å. O2- is bonded in a 4-coordinate geometry to one Ni3+, two equivalent Zn2+, and one Ge4+ atom.