LiFeGe2O6 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra and edges with two equivalent Fe(1)O6 octahedra. Ge(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form GeO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-64°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Fe(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Ge tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ge(1) atoms.
LiFeGe2O6 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Li(1)-O(1) bond lengths are 2.05 Å. Both Li(1)-O(2) bond lengths are 2.53 Å. Both Li(1)-O(3) bond lengths are 2.18 Å. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra and edges with two equivalent Fe(1)O6 octahedra. Both Fe(1)-O(2) bond lengths are 1.88 Å. There are two shorter (2.08 Å) and two longer (2.11 Å) Fe(1)-O(1) bond lengths. Ge(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form GeO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-64°. The Ge(1)-O(1) bond length is 1.76 Å. The Ge(1)-O(2) bond length is 1.72 Å. There is one shorter (1.76 Å) and one longer (1.77 Å) Ge(1)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Fe(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Ge tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ge(1) atoms.