Li2Fe(SO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent S(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O5 square pyramids, corners with six equivalent S(1)O4 tetrahedra, and edges with two equivalent Li(1)O5 square pyramids. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one S(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(1), one Fe(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one S(1) atom.
Li2Fe(SO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent S(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. The Li(1)-O(2) bond length is 2.16 Å. The Li(1)-O(3) bond length is 2.22 Å. The Li(1)-O(4) bond length is 2.02 Å. There is one shorter (1.96 Å) and one longer (2.01 Å) Li(1)-O(1) bond length. Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O5 square pyramids, corners with six equivalent S(1)O4 tetrahedra, and edges with two equivalent Li(1)O5 square pyramids. Both Fe(1)-O(2) bond lengths are 2.22 Å. Both Fe(1)-O(3) bond lengths are 2.12 Å. Both Fe(1)-O(4) bond lengths are 2.17 Å. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-52°. The S(1)-O(1) bond length is 1.48 Å. The S(1)-O(2) bond length is 1.49 Å. The S(1)-O(3) bond length is 1.49 Å. The S(1)-O(4) bond length is 1.50 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one S(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(1), one Fe(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one S(1) atom.