Materials Data on LiGaGeO4 by Materials Project

Abstract

LiGaGeO4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent GaO4 tetrahedra and corners with four equivalent GeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.05 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent GaO4 tetrahedra, corners with two equivalent GeO4 tetrahedra, and corners with four equivalent LiO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.82–1.90 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GaO4 tetrahedra, corners with two equivalent GeO4 tetrahedra, and corners with four equivalent LiO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two equivalent Ga3+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Ga3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Ga3+, and one Ge4+ atom.