Li2FeSiCO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six 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 distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one Si(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one Si(1) atom.
Li2FeSiCO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. The Li(1)-O(1) bond length is 2.01 Å. The Li(1)-O(2) bond length is 2.25 Å. The Li(1)-O(3) bond length is 2.30 Å. The Li(1)-O(4) bond length is 2.09 Å. The Li(1)-O(6) bond length is 2.18 Å. Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. The Fe(1)-O(2) bond length is 2.14 Å. The Fe(1)-O(3) bond length is 2.18 Å. The Fe(1)-O(4) bond length is 1.98 Å. The Fe(1)-O(5) bond length is 1.89 Å. Both Fe(1)-O(6) bond lengths are 1.90 Å. Si(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. The Si(1)-O(4) bond length is 1.64 Å. The Si(1)-O(5) bond length is 1.65 Å. Both Si(1)-O(6) bond lengths are 1.64 Å. 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 1.27 Å. The C(1)-O(2) bond length is 1.31 Å. The C(1)-O(3) bond length is 1.30 Å. There are six 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 distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one Si(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one Si(1) atom.