Li2Fe3Co7O20 crystallizes in the monoclinic P2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. In the second Li site, Li(2) is bonded to two equivalent O(8) and four equivalent O(10) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(8), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Fe site, Fe(2) is bonded to two equivalent O(9) and four equivalent O(10) atoms to form FeO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the third Co site, Co(3) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. In the fourth Co site, Co(4) is bonded to one O(10), one O(7), two equivalent O(8), and two equivalent O(9) atoms to form CoO6 octahedra that share edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Co(2) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of edge and corner-sharing OLi2Co3 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(3), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Co(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Co(1) and two equivalent Co(3) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(1) and one Co(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(1) and one Co(4) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), and two equivalent Co(4) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2) and two equivalent Co(4) atoms. In the tenth O site, O(10) is bonded to two equivalent Li(2), two equivalent Fe(2), and one Co(4) atom to form a mixture of edge and corner-sharing OLi2Fe2Co square pyramids.
Li2Fe3Co7O20 crystallizes in the monoclinic P2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. Both Li(1)-O(3) bond lengths are 2.14 Å. All Li(1)-O(2) bond lengths are 2.20 Å. In the second Li site, Li(2) is bonded to two equivalent O(8) and four equivalent O(10) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. Both Li(2)-O(8) bond lengths are 2.10 Å. All Li(2)-O(10) bond lengths are 2.13 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(8), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. The Fe(1)-O(4) bond length is 2.02 Å. The Fe(1)-O(8) bond length is 2.04 Å. Both Fe(1)-O(6) bond lengths are 1.96 Å. Both Fe(1)-O(7) bond lengths are 1.95 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(9) and four equivalent O(10) atoms to form FeO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. Both Fe(2)-O(9) bond lengths are 1.99 Å. All Fe(2)-O(10) bond lengths are 2.00 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The Co(1)-O(2) bond length is 1.91 Å. The Co(1)-O(5) bond length is 1.87 Å. Both Co(1)-O(1) bond lengths are 1.88 Å. Both Co(1)-O(3) bond lengths are 1.91 Å. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. Both Co(2)-O(1) bond lengths are 1.88 Å. All Co(2)-O(2) bond lengths are 1.93 Å. In the third Co site, Co(3) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. The Co(3)-O(3) bond length is 1.91 Å. The Co(3)-O(6) bond length is 1.85 Å. Both Co(3)-O(4) bond lengths are 1.89 Å. Both Co(3)-O(5) bond lengths are 1.90 Å. In the fourth Co site, Co(4) is bonded to one O(10), one O(7), two equivalent O(8), and two equivalent O(9) atoms to form CoO6 octahedra that share edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The Co(4)-O(10) bond length is 1.90 Å. The Co(4)-O(7) bond length is 1.84 Å. Both Co(4)-O(8) bond lengths are 1.91 Å. Both Co(4)-O(9) bond lengths are 1.88 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Co(2) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of edge and corner-sharing OLi2Co3 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(3), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Co(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Co(1) and two equivalent Co(3) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(1) and one Co(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(1) and one Co(4) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), and two equivalent Co(4) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2) and two equivalent Co(4) atoms. In the tenth O site, O(10) is bonded to two equivalent Li(2), two equivalent Fe(2), and one Co(4) atom to form a mixture of edge and corner-sharing OLi2Fe2Co square pyramids.