The material structure described by Li4FeCo9O20 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(19), one O(2), one O(20), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, and  an edgeedge with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(14), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra,  a cornercorner with one Co(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  an edgeedge with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(15), one O(16), one O(18), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, and  an edgeedge with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. In the fourth Li site, Li(4) is bonded to one O(15), one O(17), one O(18), one O(3), one O(4), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, and  an edgeedge with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Fe(1) is bonded to one O(17), one O(2), one O(20), one O(3), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. There are nine inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(18), one O(19), one O(4), one O(5), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the second Co site, Co(2) is bonded to one O(11), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra,  an edgeedge with one Co(9)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the fourth Co site, Co(4) is bonded to one O(10), one O(12), one O(13), one O(16), one O(5), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(9)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the fifth Co site, Co(5) is bonded to one O(11), one O(14), one O(15), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the sixth Co site, Co(6) is bonded to one O(11), one O(14), one O(15), one O(17), one O(20), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the seventh Co site, Co(7) is bonded to one O(10), one O(12), one O(13), one O(16), one O(18), and one O(19) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the eighth Co site, Co(8) is bonded to one O(14), one O(15), one O(17), one O(2), one O(20), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the ninth Co site, Co(9) is bonded to one O(1), one O(13), one O(16), one O(18), one O(19), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(9) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Co(2), and one Co(8) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(4), one Fe(1), one Co(2), and one Co(8) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(1), one Co(3), and one Co(9) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(1), one Co(3), and one Co(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Co(1), one Co(3), and one Co(4) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid and  an edgeedge with one O(8)Li2FeCo2 square pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Fe(1), one Co(2), and one Co(5) atom to form a mixture of corner and edge-sharing OLi2FeCo2 square pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(5), and one Co(6) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(3), one Co(4), and one Co(7) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), one Co(5), and one Co(6) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(3), one Co(4), and one Co(7) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(4), one Co(7), and one Co(9) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(5), one Co(6), and one Co(8) atom. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(4), one Co(5), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(8)Li2FeCo2 square pyramid and  an edgeedge with one O(18)Li2Co3 square pyramid. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(4), one Co(7), and one Co(9) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(4), one Fe(1), one Co(6), and one Co(8) atom. In the eighteenth O site, O(18) is bonded to one Li(3), one Li(4), one Co(1), one Co(7), and one Co(9) atom to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(7), and one Co(9) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Co(6), and one Co(8) atom. is represented by the CIF file [CIF]
data_Li4FeCo9O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.516
_cell_length_b   4.906
_cell_length_c   10.039
_cell_angle_alpha   85.337
_cell_angle_beta   80.810
_cell_angle_gamma   71.036
_symmetry_Int_Tables_number   1
_cell_volume   345.383
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.079  0.697  0.503  1.0
  Li  Li1  1  0.518  0.498  0.499  1.0
  Li  Li2  1  0.580  0.205  0.000  1.0
  Li  Li3  1  0.017  0.985  0.997  1.0
  Fe  Fe4  1  0.156  0.054  0.253  1.0
  Co  Co5  1  0.050  0.349  0.750  1.0
  Co  Co6  1  0.352  0.452  0.248  1.0
  Co  Co7  1  0.250  0.749  0.752  1.0
  Co  Co8  1  0.449  0.149  0.749  1.0
  Co  Co9  1  0.553  0.850  0.250  1.0
  Co  Co10  1  0.749  0.250  0.251  1.0
  Co  Co11  1  0.650  0.551  0.751  1.0
  Co  Co12  1  0.948  0.651  0.249  1.0
  Co  Co13  1  0.850  0.951  0.748  1.0
  O  O14  1  0.071  0.015  0.652  1.0
  O  O15  1  0.129  0.404  0.353  1.0
  O  O16  1  0.164  0.713  0.147  1.0
  O  O17  1  0.029  0.685  0.848  1.0
  O  O18  1  0.228  0.072  0.848  1.0
  O  O19  1  0.382  0.132  0.147  1.0
  O  O20  1  0.268  0.432  0.649  1.0
  O  O21  1  0.338  0.757  0.355  1.0
  O  O22  1  0.530  0.185  0.348  1.0
  O  O23  1  0.434  0.473  0.848  1.0
  O  O24  1  0.572  0.517  0.152  1.0
  O  O25  1  0.471  0.812  0.653  1.0
  O  O26  1  0.667  0.231  0.652  1.0
  O  O27  1  0.730  0.576  0.347  1.0
  O  O28  1  0.770  0.931  0.149  1.0
  O  O29  1  0.631  0.882  0.847  1.0
  O  O30  1  0.961  0.328  0.151  1.0
  O  O31  1  0.829  0.269  0.851  1.0
  O  O32  1  0.870  0.626  0.653  1.0
  O  O33  1  0.923  0.964  0.351  1.0
[/CIF]
.
The material structure described by Li4FeCo9O20 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(19), one O(2), one O(20), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, and  an edgeedge with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(14), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra,  a cornercorner with one Co(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  an edgeedge with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(15), one O(16), one O(18), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, and  an edgeedge with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. In the fourth Li site, Li(4) is bonded to one O(15), one O(17), one O(18), one O(3), one O(4), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, and  an edgeedge with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Fe(1) is bonded to one O(17), one O(2), one O(20), one O(3), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. There are nine inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(18), one O(19), one O(4), one O(5), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the second Co site, Co(2) is bonded to one O(11), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra,  an edgeedge with one Co(9)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the fourth Co site, Co(4) is bonded to one O(10), one O(12), one O(13), one O(16), one O(5), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(9)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the fifth Co site, Co(5) is bonded to one O(11), one O(14), one O(15), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the sixth Co site, Co(6) is bonded to one O(11), one O(14), one O(15), one O(17), one O(20), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the seventh Co site, Co(7) is bonded to one O(10), one O(12), one O(13), one O(16), one O(18), and one O(19) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the eighth Co site, Co(8) is bonded to one O(14), one O(15), one O(17), one O(2), one O(20), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the ninth Co site, Co(9) is bonded to one O(1), one O(13), one O(16), one O(18), one O(19), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(9) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Co(2), and one Co(8) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(4), one Fe(1), one Co(2), and one Co(8) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(1), one Co(3), and one Co(9) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(1), one Co(3), and one Co(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Co(1), one Co(3), and one Co(4) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid and  an edgeedge with one O(8)Li2FeCo2 square pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Fe(1), one Co(2), and one Co(5) atom to form a mixture of corner and edge-sharing OLi2FeCo2 square pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(5), and one Co(6) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(3), one Co(4), and one Co(7) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), one Co(5), and one Co(6) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(3), one Co(4), and one Co(7) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(4), one Co(7), and one Co(9) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(5), one Co(6), and one Co(8) atom. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(4), one Co(5), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(8)Li2FeCo2 square pyramid and  an edgeedge with one O(18)Li2Co3 square pyramid. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(4), one Co(7), and one Co(9) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(4), one Fe(1), one Co(6), and one Co(8) atom. In the eighteenth O site, O(18) is bonded to one Li(3), one Li(4), one Co(1), one Co(7), and one Co(9) atom to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(7), and one Co(9) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Co(6), and one Co(8) atom. is represented by the CIF file [CIF]
data_Li4FeCo9O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.516
_cell_length_b   4.906
_cell_length_c   10.039
_cell_angle_alpha   85.337
_cell_angle_beta   80.810
_cell_angle_gamma   71.036
_symmetry_Int_Tables_number   1
_cell_volume   345.383
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.079  0.697  0.503  1.0
  Li  Li1  1  0.518  0.498  0.499  1.0
  Li  Li2  1  0.580  0.205  0.000  1.0
  Li  Li3  1  0.017  0.985  0.997  1.0
  Fe  Fe4  1  0.156  0.054  0.253  1.0
  Co  Co5  1  0.050  0.349  0.750  1.0
  Co  Co6  1  0.352  0.452  0.248  1.0
  Co  Co7  1  0.250  0.749  0.752  1.0
  Co  Co8  1  0.449  0.149  0.749  1.0
  Co  Co9  1  0.553  0.850  0.250  1.0
  Co  Co10  1  0.749  0.250  0.251  1.0
  Co  Co11  1  0.650  0.551  0.751  1.0
  Co  Co12  1  0.948  0.651  0.249  1.0
  Co  Co13  1  0.850  0.951  0.748  1.0
  O  O14  1  0.071  0.015  0.652  1.0
  O  O15  1  0.129  0.404  0.353  1.0
  O  O16  1  0.164  0.713  0.147  1.0
  O  O17  1  0.029  0.685  0.848  1.0
  O  O18  1  0.228  0.072  0.848  1.0
  O  O19  1  0.382  0.132  0.147  1.0
  O  O20  1  0.268  0.432  0.649  1.0
  O  O21  1  0.338  0.757  0.355  1.0
  O  O22  1  0.530  0.185  0.348  1.0
  O  O23  1  0.434  0.473  0.848  1.0
  O  O24  1  0.572  0.517  0.152  1.0
  O  O25  1  0.471  0.812  0.653  1.0
  O  O26  1  0.667  0.231  0.652  1.0
  O  O27  1  0.730  0.576  0.347  1.0
  O  O28  1  0.770  0.931  0.149  1.0
  O  O29  1  0.631  0.882  0.847  1.0
  O  O30  1  0.961  0.328  0.151  1.0
  O  O31  1  0.829  0.269  0.851  1.0
  O  O32  1  0.870  0.626  0.653  1.0
  O  O33  1  0.923  0.964  0.351  1.0
[/CIF]
.