Materials Data on Li2MgGeO4 by Materials Project
Li2MgGeO4 is Theoretical Carbon Structure-derived structured and crystallizes in the orthorhombic Pna2_1 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 two equivalent LiO4 tetrahedra, corners with two equivalent MgO4 tetrahedra, corners with four equivalent GeO4 tetrahedra, an edgeedge with one LiO4 tetrahedra, and an edgeedge with one MgO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.07 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent MgO4 tetrahedra, corners with four equivalent GeO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.98–2.04 Å. Mg2+ is bonded to four O2- atoms to form MgO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra, corners with six LiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.96–2.01 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent MgO4 tetrahedra and corners with eight LiO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.77–1.79 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two Li1+, one Mg2+, and one Ge4+ atom to form corner-sharing OLi2MgGe tetrahedra. In the second O2- site, O2- is bonded to two Li1+, one Mg2+, and one Ge4+ atom to form a mixture of corner and edge-sharing OLi2MgGe tetrahedra. In the third O2- site, O2- is bonded to two Li1+, one Mg2+, and one Ge4+ atom to form a mixture of corner and edge-sharing OLi2MgGe tetrahedra. In the fourth O2- site, O2- is bonded to two Li1+, one Mg2+, and one Ge4+ atom to form a mixture of corner and edge-sharing OLi2MgGe trigonal pyramids.