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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LiGeBO4 by Materials Project

LiBGeO4 is Chalcostibite-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.95 Å) and two longer (2.13 Å) Li–O bond lengths. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. There is two shorter (1.48 Å) and two longer (1.54 Å) B–O bond length. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. There is two shorter (1.78 Å) and two longer (1.80 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one B3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one B3+, and one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGeBO4 by Materials Project

LiBGeO4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form distorted LiO4 tetrahedra that share corners with four equivalent BO4 tetrahedra and corners with four equivalent GeO4 tetrahedra. All Li–O bond lengths are 2.02 Å. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent GeO4 tetrahedra. All B–O bond lengths are 1.48 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent BO4 tetrahedra. All Ge–O bond lengths are 1.78 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one B3+, and one Ge4+ atom.

36 MATERIALS SCIENCE↗