LiFeCO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Fe(1) atoms.
LiFeCO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The Li(1)-O(2) bond length is 2.21 Å. The Li(1)-O(4) bond length is 1.97 Å. There is one shorter (1.95 Å) and one longer (2.01 Å) Li(1)-O(1) bond length. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The Fe(1)-O(2) bond length is 1.98 Å. The Fe(1)-O(3) bond length is 1.96 Å. There is one shorter (1.84 Å) and one longer (1.86 Å) Fe(1)-O(4) bond length. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.26 Å. The C(1)-O(2) bond length is 1.33 Å. The C(1)-O(3) bond length is 1.30 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Fe(1) atoms.