LiFe2C2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. In the second Fe site, Fe(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and one O(6) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Fe(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(2) atom.
LiFe2C2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. The Li(1)-O(2) bond length is 1.94 Å. The Li(1)-O(3) bond length is 2.05 Å. The Li(1)-O(4) bond length is 2.12 Å. The Li(1)-O(6) bond length is 2.28 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. The Fe(1)-O(1) bond length is 1.98 Å. The Fe(1)-O(2) bond length is 1.84 Å. The Fe(1)-O(3) bond length is 2.00 Å. The Fe(1)-O(4) bond length is 2.35 Å. The Fe(1)-O(7) bond length is 2.01 Å. In the second Fe site, Fe(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and one O(6) atom. The Fe(2)-O(2) bond length is 1.93 Å. The Fe(2)-O(4) bond length is 2.19 Å. The Fe(2)-O(5) bond length is 1.98 Å. The Fe(2)-O(6) bond length is 2.10 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. The C(1)-O(1) bond length is 1.29 Å. The C(1)-O(4) bond length is 1.34 Å. The C(1)-O(6) bond length is 1.28 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(7) atom. The C(2)-O(3) bond length is 1.32 Å. The C(2)-O(5) bond length is 1.27 Å. The C(2)-O(7) bond length is 1.31 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Fe(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(2) atom.