Li2Fe2(CO3)3 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(4) atoms. Fe(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Fe(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Fe(1), and one C(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one C(2) atom.
Li2Fe2(CO3)3 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. Both Li(1)-O(2) bond lengths are 2.19 Å. All Li(1)-O(4) bond lengths are 2.32 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(4) atoms. Both Li(2)-O(3) bond lengths are 2.34 Å. All Li(2)-O(4) bond lengths are 2.03 Å. Fe(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. The Fe(1)-O(1) bond length is 2.18 Å. Both Fe(1)-O(2) bond lengths are 2.48 Å. There is one shorter (2.26 Å) and one longer (2.28 Å) Fe(1)-O(3) bond length. Both Fe(1)-O(4) bond lengths are 2.17 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) and two equivalent O(3) atoms. The C(1)-O(1) bond length is 1.33 Å. Both C(1)-O(3) bond lengths are 1.28 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(4) atoms. The C(2)-O(2) bond length is 1.29 Å. Both C(2)-O(4) bond lengths are 1.30 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 Fe(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Fe(1), and one C(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one C(2) atom.