Materials Data on Li2ZnGeO4 by Materials Project

Abstract

Li2ZnGeO4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and corners with four equivalent GeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.01–2.03 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and corners with four equivalent GeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.01 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra and corners with eight LiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.01 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra and corners with eight LiO4 tetrahedra. There is two shorter (1.78 Å) and two longer (1.79 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two Li1+, one Zn2+, and one Ge4+ atom to form corner-sharing OLi2ZnGe tetrahedra. In the second O2- site, O2- is bonded to two Li1+, one Zn2+, and one Ge4+ atom to form corner-sharing OLi2ZnGe tetrahedra. In the third O2- site, O2- is bonded to two Li1+, one Zn2+, and one Ge4+ atom to form corner-sharing OLi2ZnGe tetrahedra. In the fourth O2- site, O2- is bonded to two Li1+, one Zn2+, and one Ge4+ atom to form corner-sharing OLi2ZnGe tetrahedra.