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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li2GeO3 by Materials Project

Li2GeO3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with five equivalent GeO4 tetrahedra and corners with seven equivalent LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.16 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO4 tetrahedra and corners with ten equivalent LiO4 tetrahedra. There is two shorter (1.73 Å) and two longer (1.85 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+ and two equivalent Ge4+ atoms to form corner-sharing OLi2Ge2 tetrahedra. In the second O2- site, O2- is bonded to three equivalent Li1+ and one Ge4+ atom to form corner-sharing OLi3Ge tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li4GeO4 by Materials Project

Li4GeO4 crystallizes in the orthorhombic Cmcm 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 distorted LiO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra, corners with six LiO4 tetrahedra, and edges with three LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.01–2.14 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra, corners with six LiO4 tetrahedra, and edges with three LiO4 tetrahedra. There is two shorter (1.93 Å) and two longer (1.98 Å) Li–O bond length. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with sixteen LiO4 tetrahedra. There is two shorter (1.78 Å) and two longer (1.79 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and one Ge4+ atom to form distorted corner-sharing OLi4Ge trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2Ge3O8 by Materials Project

Li2Ge3O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with four equivalent GeO4 tetrahedra, edges with three LiO6 octahedra, and edges with three equivalent GeO6 octahedra. There are a spread of Li–O bond distances ranging from 2.08–2.18 Å. In the second Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with six equivalent GeO4 tetrahedra, an edgeedge with one LiO6 octahedra, and edges with two equivalent GeO6 octahedra. There are a spread of Li–O bond distances ranging from 2.11–2.19 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra, corners with five LiO6 octahedra, and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. In the second Ge site, Ge is bonded to six O atoms to form GeO6 octahedra that share corners with four equivalent GeO4 tetrahedra and edges with five LiO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.86–1.97 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Li and two Ge atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to two Li and one Ge atom. In the third O site, O is bonded in a trigonal planar geometry to one Li and two equivalent Ge atoms. In the fourth O site, O is bonded in a rectangular see-saw-like geometry to two equivalent Li and two Ge atoms.

36 MATERIALS SCIENCE↗