Results for “Co-Ge-Li-O” | Engineering Papers

DOE OSTI2020

Materials Data on LiCoGeO4 by Materials Project

LiCoGeO4 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent CoO4 tetrahedra and corners with four equivalent GeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.00–2.05 Å. Co3+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent GeO4 tetrahedra. All Co–O bond lengths are 1.87 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent CoO4 tetrahedra. There is one shorter (1.77 Å) and three longer (1.78 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Co3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Li1+, one Co3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Co3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Li1+, one Co3+, and one Ge4+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Li2CoGe3O8 by Materials Project

Li2CoGe3O8 is Spinel-derived structured and crystallizes in the cubic P2_13 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 three equivalent LiO6 octahedra and corners with nine equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–66°. All Li–O bond lengths are 1.97 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with three equivalent LiO4 tetrahedra, corners with three equivalent CoO4 tetrahedra, and edges with six equivalent GeO6 octahedra. There are three shorter (2.12 Å) and three longer (2.13 Å) Li–O bond lengths. Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent LiO6 octahedra and corners with nine equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 57–66°. There is three shorter (1.98 Å) and one longer (2.01 Å) Co–O bond length. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with three equivalent LiO4 tetrahedra, corners with three equivalent CoO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.86–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, one Co2+, and two equivalent Ge4+ atoms to form distorted OLiCoGe2 trigonal pyramids that share a cornercorner with one OCoGe3 tetrahedra, corners with nine OLiCoGe2 trigonal pyramids, an edgeedge with one OCoGe3 tetrahedra, and edges with two equivalent OLiCoGe2 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three equivalent Ge4+ atoms. In the third O2- site, O2- is bonded to two Li1+ and two equivalent Ge4+ atoms to form distorted OLi2Ge2 trigonal pyramids that share corners with two equivalent OCoGe3 tetrahedra, corners with nine OLiCoGe2 trigonal pyramids, and edges with two equivalent OLi2Ge2 trigonal pyramids. In the fourth O2- site, O2- is bonded to one Co2+ and three equivalent Ge4+ atoms to form a mixture of distorted edge and corner-sharing OCoGe3 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Li3Co2(GeO4)3 by Materials Project

Li3Co2(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 (2.28 Å) and four longer (2.41 Å) Li–O bond lengths. Co is bonded to six equivalent O atoms to form CoO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Co–O bond lengths are 1.87 Å. Ge is bonded to four equivalent O atoms to form GeO4 tetrahedra that share corners with four equivalent CoO6 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 Co, and one Ge atom to form a mixture of distorted edge and corner-sharing OLi2CoGe trigonal pyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020