The crystal structure described by Li4Fe5(CoO6)2 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(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 Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(8) atom to form LiO6 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,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)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 Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the fourth Li site, Li(4) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)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 Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(9) 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(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)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 Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), 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(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)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 Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(9) 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(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)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 Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)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 Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(8) 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,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)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 Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), 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(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)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 Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Fe(2), one Fe(3), and one Co(1) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(9)Li2Fe3Co octahedra,  a cornercorner with one O(5)Li3Fe2Co octahedra,  a cornercorner with one O(7)Li3Fe2Co octahedra,  a cornercorner with one O(4)Li2Fe2Co square pyramid,  a cornercorner with one O(12)LiFe3Co square pyramid, corners with two equivalent O(11)Li2Fe2Co square pyramids, corners with two equivalent O(2)LiFe3Co square pyramids,  an edgeedge with one O(10)Li2Fe3Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li2Fe2Co square pyramid, and  an edgeedge with one O(4)Li2Fe2Co square pyramid. The corner-sharing octahedral tilt angles range from 6-12°. In the second O site, O(2) is bonded to one Li(2), one Fe(1), one Fe(3), one Fe(4), and one Co(2) atom to form OLiFe3Co square pyramids that share  a cornercorner with one O(10)Li2Fe3Co octahedra,  a cornercorner with one O(6)Li2Fe3Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra,  a cornercorner with one O(11)Li2Fe2Co square pyramid,  a cornercorner with one O(3)LiFe3Co square pyramid, corners with two equivalent O(1)Li2Fe2Co square pyramids, corners with two equivalent O(12)LiFe3Co square pyramids,  an edgeedge with one O(6)Li2Fe3Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra, edges with two equivalent O(10)Li2Fe3Co octahedra, edges with two equivalent O(9)Li2Fe3Co octahedra,  an edgeedge with one O(12)LiFe3Co square pyramid, and  an edgeedge with one O(3)LiFe3Co square pyramid. The corner-sharing octahedral tilt angles range from 5-6°. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Fe(4), one Fe(5), and one Co(2) atom to form OLiFe3Co square pyramids that share  a cornercorner with one O(10)Li2Fe3Co octahedra,  a cornercorner with one O(6)Li2Fe3Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra,  a cornercorner with one O(11)Li2Fe2Co square pyramid,  a cornercorner with one O(2)LiFe3Co square pyramid, corners with two equivalent O(4)Li2Fe2Co square pyramids, corners with two equivalent O(12)LiFe3Co square pyramids,  an edgeedge with one O(10)Li2Fe3Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2Fe3Co octahedra, edges with two equivalent O(9)Li2Fe3Co octahedra,  an edgeedge with one O(12)LiFe3Co square pyramid, and  an edgeedge with one O(2)LiFe3Co square pyramid. The corner-sharing octahedral tilt angles range from 4-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Fe(2), one Fe(5), and one Co(1) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(9)Li2Fe3Co octahedra,  a cornercorner with one O(5)Li3Fe2Co octahedra,  a cornercorner with one O(7)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li2Fe2Co square pyramid,  a cornercorner with one O(12)LiFe3Co square pyramid, corners with two equivalent O(11)Li2Fe2Co square pyramids, corners with two equivalent O(3)LiFe3Co square pyramids,  an edgeedge with one O(6)Li2Fe3Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li2Fe2Co square pyramid, and  an edgeedge with one O(11)Li2Fe2Co square pyramid. The corner-sharing octahedral tilt angles range from 7-14°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Fe(2), one Fe(5), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(10)Li2Fe3Co octahedra,  a cornercorner with one O(6)Li2Fe3Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li2Fe2Co square pyramid,  a cornercorner with one O(4)Li2Fe2Co square pyramid,  a cornercorner with one O(12)LiFe3Co square pyramid,  an edgeedge with one O(6)Li2Fe3Co octahedra,  an edgeedge with one O(9)Li2Fe3Co octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li2Fe2Co square pyramid,  an edgeedge with one O(3)LiFe3Co square pyramid, edges with two equivalent O(11)Li2Fe2Co square pyramids, and edges with two equivalent O(4)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 3-8°. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Fe(1), one Fe(4), one Fe(5), and one Co(2) atom to form OLi2Fe3Co octahedra that share  a cornercorner with one O(9)Li2Fe3Co octahedra,  a cornercorner with one O(5)Li3Fe2Co octahedra,  a cornercorner with one O(7)Li3Fe2Co octahedra,  a cornercorner with one O(11)Li2Fe2Co square pyramid,  a cornercorner with one O(2)LiFe3Co square pyramid,  a cornercorner with one O(3)LiFe3Co square pyramid,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra, edges with two equivalent O(10)Li2Fe3Co octahedra, edges with two equivalent O(9)Li2Fe3Co octahedra,  an edgeedge with one O(4)Li2Fe2Co square pyramid,  an edgeedge with one O(2)LiFe3Co square pyramid, edges with two equivalent O(12)LiFe3Co square pyramids, and edges with two equivalent O(3)LiFe3Co square pyramids. The corner-sharing octahedral tilt angles range from 3-8°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one Fe(2), one Fe(3), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(10)Li2Fe3Co octahedra,  a cornercorner with one O(6)Li2Fe3Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li2Fe2Co square pyramid,  a cornercorner with one O(4)Li2Fe2Co square pyramid,  a cornercorner with one O(12)LiFe3Co square pyramid,  an edgeedge with one O(10)Li2Fe3Co octahedra,  an edgeedge with one O(9)Li2Fe3Co octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(4)Li2Fe2Co square pyramid,  an edgeedge with one O(2)LiFe3Co square pyramid, edges with two equivalent O(1)Li2Fe2Co square pyramids, and edges with two equivalent O(11)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 6-8°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Fe(2), one Fe(3), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(9)Li2Fe3Co octahedra,  a cornercorner with one O(5)Li3Fe2Co octahedra,  a cornercorner with one O(7)Li3Fe2Co octahedra,  a cornercorner with one O(11)Li2Fe2Co square pyramid,  a cornercorner with one O(2)LiFe3Co square pyramid,  a cornercorner with one O(3)LiFe3Co square pyramid,  an edgeedge with one O(10)Li2Fe3Co octahedra,  an edgeedge with one O(6)Li2Fe3Co octahedra,  an edgeedge with one O(9)Li2Fe3Co octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li2Fe2Co square pyramid, edges with two equivalent O(1)Li2Fe2Co square pyramids, and edges with two equivalent O(4)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Fe(1), one Fe(3), one Fe(4), and one Co(2) atom to form OLi2Fe3Co octahedra that share  a cornercorner with one O(10)Li2Fe3Co octahedra,  a cornercorner with one O(6)Li2Fe3Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li2Fe2Co square pyramid,  a cornercorner with one O(4)Li2Fe2Co square pyramid,  a cornercorner with one O(12)LiFe3Co square pyramid,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra, edges with two equivalent O(10)Li2Fe3Co octahedra, edges with two equivalent O(6)Li2Fe3Co octahedra,  an edgeedge with one O(12)LiFe3Co square pyramid, edges with two equivalent O(2)LiFe3Co square pyramids, and edges with two equivalent O(3)LiFe3Co square pyramids. The corner-sharing octahedral tilt angles range from 1-7°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Fe(1), one Fe(3), one Fe(4), and one Co(2) atom to form OLi2Fe3Co octahedra that share  a cornercorner with one O(9)Li2Fe3Co octahedra,  a cornercorner with one O(5)Li3Fe2Co octahedra,  a cornercorner with one O(7)Li3Fe2Co octahedra,  a cornercorner with one O(11)Li2Fe2Co square pyramid,  a cornercorner with one O(2)LiFe3Co square pyramid,  a cornercorner with one O(3)LiFe3Co square pyramid,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2Fe3Co octahedra, edges with two equivalent O(9)Li2Fe3Co octahedra,  an edgeedge with one O(1)Li2Fe2Co square pyramid,  an edgeedge with one O(3)LiFe3Co square pyramid, edges with two equivalent O(12)LiFe3Co square pyramids, and edges with two equivalent O(2)LiFe3Co square pyramids. The corner-sharing octahedral tilt angles range from 6-8°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Fe(2), one Fe(5), and one Co(1) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(10)Li2Fe3Co octahedra,  a cornercorner with one O(6)Li2Fe3Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra,  a cornercorner with one O(2)LiFe3Co square pyramid,  a cornercorner with one O(3)LiFe3Co square pyramid, corners with two equivalent O(1)Li2Fe2Co square pyramids, corners with two equivalent O(4)Li2Fe2Co square pyramids,  an edgeedge with one O(8)Li3Fe2Co octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li2Fe2Co square pyramid,  an edgeedge with one O(4)Li2Fe2Co square pyramid, and  an edgeedge with one O(12)LiFe3Co square pyramid. The corner-sharing octahedral tilt angles range from 2-7°. In the twelfth O site, O(12) is bonded to one Li(2), one Fe(1), one Fe(4), one Fe(5), and one Co(2) atom to form OLiFe3Co square pyramids that share  a cornercorner with one O(9)Li2Fe3Co octahedra,  a cornercorner with one O(5)Li3Fe2Co octahedra,  a cornercorner with one O(7)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li2Fe2Co square pyramid,  a cornercorner with one O(4)Li2Fe2Co square pyramid, corners with two equivalent O(2)LiFe3Co square pyramids, corners with two equivalent O(3)LiFe3Co square pyramids,  an edgeedge with one O(9)Li2Fe3Co octahedra, edges with two equivalent O(10)Li2Fe3Co octahedra, edges with two equivalent O(6)Li2Fe3Co octahedra,  an edgeedge with one O(11)Li2Fe2Co square pyramid,  an edgeedge with one O(2)LiFe3Co square pyramid, and  an edgeedge with one O(3)LiFe3Co square pyramid. The corner-sharing octahedral tilt angles range from 3-13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Fe5(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.916
_cell_length_b   5.228
_cell_length_c   9.811
_cell_angle_alpha   80.725
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.375
_cell_formula_units_Z   2
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  0.903  0.017  0.747  1.0
  Li  Li1  1  0.917  0.487  0.258  1.0
  Li  Li2  1  0.584  0.761  0.503  1.0
  Li  Li3  1  0.590  0.498  0.256  1.0
  Li  Li4  1  0.403  0.983  0.253  1.0
  Li  Li5  1  0.417  0.513  0.742  1.0
  Li  Li6  1  0.084  0.239  0.497  1.0
  Li  Li7  1  0.090  0.502  0.744  1.0
  Fe  Fe8  1  0.919  0.256  0.003  1.0
  Fe  Fe9  1  0.922  0.751  0.497  1.0
  Fe  Fe10  1  0.752  0.997  0.257  1.0
  Fe  Fe11  1  0.579  0.241  0.997  1.0
  Fe  Fe12  1  0.744  0.510  0.741  1.0
  Fe  Fe13  1  0.422  0.249  0.503  1.0
  Fe  Fe14  1  0.419  0.744  0.997  1.0
  Fe  Fe15  1  0.252  0.003  0.743  1.0
  Fe  Fe16  1  0.244  0.490  0.259  1.0
  Fe  Fe17  1  0.079  0.759  0.003  1.0
  Co  Co18  1  0.748  0.245  0.506  1.0
  Co  Co19  1  0.746  0.756  0.993  1.0
  Co  Co20  1  0.246  0.244  0.007  1.0
  Co  Co21  1  0.248  0.755  0.494  1.0
  O  O22  1  0.896  0.126  0.390  1.0
  O  O23  1  0.909  0.893  0.113  1.0
  O  O24  1  0.753  0.154  0.880  1.0
  O  O25  1  0.768  0.852  0.627  1.0
  O  O26  1  0.901  0.382  0.618  1.0
  O  O27  1  0.917  0.612  0.880  1.0
  O  O28  1  0.764  0.651  0.366  1.0
  O  O29  1  0.597  0.136  0.386  1.0
  O  O30  1  0.581  0.887  0.121  1.0
  O  O31  1  0.748  0.352  0.124  1.0
  O  O32  1  0.597  0.385  0.609  1.0
  O  O33  1  0.396  0.874  0.610  1.0
  O  O34  1  0.409  0.107  0.887  1.0
  O  O35  1  0.580  0.596  0.881  1.0
  O  O36  1  0.268  0.148  0.373  1.0
  O  O37  1  0.401  0.618  0.382  1.0
  O  O38  1  0.417  0.388  0.120  1.0
  O  O39  1  0.253  0.846  0.120  1.0
  O  O40  1  0.248  0.648  0.876  1.0
  O  O41  1  0.264  0.349  0.634  1.0
  O  O42  1  0.097  0.864  0.614  1.0
  O  O43  1  0.081  0.113  0.879  1.0
  O  O44  1  0.097  0.615  0.391  1.0
  O  O45  1  0.080  0.404  0.119  1.0
[/CIF]
.
The crystal structure described by Li4Fe5(CoO6)2 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(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 Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(8) atom to form LiO6 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,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)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 Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the fourth Li site, Li(4) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)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 Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(9) 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(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)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 Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), 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(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)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 Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(9) 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(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)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 Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)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 Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(8) 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,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)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 Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), 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(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)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 Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Fe(2), one Fe(3), and one Co(1) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(9)Li2Fe3Co octahedra,  a cornercorner with one O(5)Li3Fe2Co octahedra,  a cornercorner with one O(7)Li3Fe2Co octahedra,  a cornercorner with one O(4)Li2Fe2Co square pyramid,  a cornercorner with one O(12)LiFe3Co square pyramid, corners with two equivalent O(11)Li2Fe2Co square pyramids, corners with two equivalent O(2)LiFe3Co square pyramids,  an edgeedge with one O(10)Li2Fe3Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li2Fe2Co square pyramid, and  an edgeedge with one O(4)Li2Fe2Co square pyramid. The corner-sharing octahedral tilt angles range from 6-12°. In the second O site, O(2) is bonded to one Li(2), one Fe(1), one Fe(3), one Fe(4), and one Co(2) atom to form OLiFe3Co square pyramids that share  a cornercorner with one O(10)Li2Fe3Co octahedra,  a cornercorner with one O(6)Li2Fe3Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra,  a cornercorner with one O(11)Li2Fe2Co square pyramid,  a cornercorner with one O(3)LiFe3Co square pyramid, corners with two equivalent O(1)Li2Fe2Co square pyramids, corners with two equivalent O(12)LiFe3Co square pyramids,  an edgeedge with one O(6)Li2Fe3Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra, edges with two equivalent O(10)Li2Fe3Co octahedra, edges with two equivalent O(9)Li2Fe3Co octahedra,  an edgeedge with one O(12)LiFe3Co square pyramid, and  an edgeedge with one O(3)LiFe3Co square pyramid. The corner-sharing octahedral tilt angles range from 5-6°. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Fe(4), one Fe(5), and one Co(2) atom to form OLiFe3Co square pyramids that share  a cornercorner with one O(10)Li2Fe3Co octahedra,  a cornercorner with one O(6)Li2Fe3Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra,  a cornercorner with one O(11)Li2Fe2Co square pyramid,  a cornercorner with one O(2)LiFe3Co square pyramid, corners with two equivalent O(4)Li2Fe2Co square pyramids, corners with two equivalent O(12)LiFe3Co square pyramids,  an edgeedge with one O(10)Li2Fe3Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2Fe3Co octahedra, edges with two equivalent O(9)Li2Fe3Co octahedra,  an edgeedge with one O(12)LiFe3Co square pyramid, and  an edgeedge with one O(2)LiFe3Co square pyramid. The corner-sharing octahedral tilt angles range from 4-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Fe(2), one Fe(5), and one Co(1) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(9)Li2Fe3Co octahedra,  a cornercorner with one O(5)Li3Fe2Co octahedra,  a cornercorner with one O(7)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li2Fe2Co square pyramid,  a cornercorner with one O(12)LiFe3Co square pyramid, corners with two equivalent O(11)Li2Fe2Co square pyramids, corners with two equivalent O(3)LiFe3Co square pyramids,  an edgeedge with one O(6)Li2Fe3Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li2Fe2Co square pyramid, and  an edgeedge with one O(11)Li2Fe2Co square pyramid. The corner-sharing octahedral tilt angles range from 7-14°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Fe(2), one Fe(5), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(10)Li2Fe3Co octahedra,  a cornercorner with one O(6)Li2Fe3Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li2Fe2Co square pyramid,  a cornercorner with one O(4)Li2Fe2Co square pyramid,  a cornercorner with one O(12)LiFe3Co square pyramid,  an edgeedge with one O(6)Li2Fe3Co octahedra,  an edgeedge with one O(9)Li2Fe3Co octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li2Fe2Co square pyramid,  an edgeedge with one O(3)LiFe3Co square pyramid, edges with two equivalent O(11)Li2Fe2Co square pyramids, and edges with two equivalent O(4)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 3-8°. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Fe(1), one Fe(4), one Fe(5), and one Co(2) atom to form OLi2Fe3Co octahedra that share  a cornercorner with one O(9)Li2Fe3Co octahedra,  a cornercorner with one O(5)Li3Fe2Co octahedra,  a cornercorner with one O(7)Li3Fe2Co octahedra,  a cornercorner with one O(11)Li2Fe2Co square pyramid,  a cornercorner with one O(2)LiFe3Co square pyramid,  a cornercorner with one O(3)LiFe3Co square pyramid,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra, edges with two equivalent O(10)Li2Fe3Co octahedra, edges with two equivalent O(9)Li2Fe3Co octahedra,  an edgeedge with one O(4)Li2Fe2Co square pyramid,  an edgeedge with one O(2)LiFe3Co square pyramid, edges with two equivalent O(12)LiFe3Co square pyramids, and edges with two equivalent O(3)LiFe3Co square pyramids. The corner-sharing octahedral tilt angles range from 3-8°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one Fe(2), one Fe(3), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(10)Li2Fe3Co octahedra,  a cornercorner with one O(6)Li2Fe3Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li2Fe2Co square pyramid,  a cornercorner with one O(4)Li2Fe2Co square pyramid,  a cornercorner with one O(12)LiFe3Co square pyramid,  an edgeedge with one O(10)Li2Fe3Co octahedra,  an edgeedge with one O(9)Li2Fe3Co octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(4)Li2Fe2Co square pyramid,  an edgeedge with one O(2)LiFe3Co square pyramid, edges with two equivalent O(1)Li2Fe2Co square pyramids, and edges with two equivalent O(11)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 6-8°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Fe(2), one Fe(3), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(9)Li2Fe3Co octahedra,  a cornercorner with one O(5)Li3Fe2Co octahedra,  a cornercorner with one O(7)Li3Fe2Co octahedra,  a cornercorner with one O(11)Li2Fe2Co square pyramid,  a cornercorner with one O(2)LiFe3Co square pyramid,  a cornercorner with one O(3)LiFe3Co square pyramid,  an edgeedge with one O(10)Li2Fe3Co octahedra,  an edgeedge with one O(6)Li2Fe3Co octahedra,  an edgeedge with one O(9)Li2Fe3Co octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li2Fe2Co square pyramid, edges with two equivalent O(1)Li2Fe2Co square pyramids, and edges with two equivalent O(4)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Fe(1), one Fe(3), one Fe(4), and one Co(2) atom to form OLi2Fe3Co octahedra that share  a cornercorner with one O(10)Li2Fe3Co octahedra,  a cornercorner with one O(6)Li2Fe3Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li2Fe2Co square pyramid,  a cornercorner with one O(4)Li2Fe2Co square pyramid,  a cornercorner with one O(12)LiFe3Co square pyramid,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra, edges with two equivalent O(10)Li2Fe3Co octahedra, edges with two equivalent O(6)Li2Fe3Co octahedra,  an edgeedge with one O(12)LiFe3Co square pyramid, edges with two equivalent O(2)LiFe3Co square pyramids, and edges with two equivalent O(3)LiFe3Co square pyramids. The corner-sharing octahedral tilt angles range from 1-7°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Fe(1), one Fe(3), one Fe(4), and one Co(2) atom to form OLi2Fe3Co octahedra that share  a cornercorner with one O(9)Li2Fe3Co octahedra,  a cornercorner with one O(5)Li3Fe2Co octahedra,  a cornercorner with one O(7)Li3Fe2Co octahedra,  a cornercorner with one O(11)Li2Fe2Co square pyramid,  a cornercorner with one O(2)LiFe3Co square pyramid,  a cornercorner with one O(3)LiFe3Co square pyramid,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2Fe3Co octahedra, edges with two equivalent O(9)Li2Fe3Co octahedra,  an edgeedge with one O(1)Li2Fe2Co square pyramid,  an edgeedge with one O(3)LiFe3Co square pyramid, edges with two equivalent O(12)LiFe3Co square pyramids, and edges with two equivalent O(2)LiFe3Co square pyramids. The corner-sharing octahedral tilt angles range from 6-8°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Fe(2), one Fe(5), and one Co(1) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(10)Li2Fe3Co octahedra,  a cornercorner with one O(6)Li2Fe3Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra,  a cornercorner with one O(2)LiFe3Co square pyramid,  a cornercorner with one O(3)LiFe3Co square pyramid, corners with two equivalent O(1)Li2Fe2Co square pyramids, corners with two equivalent O(4)Li2Fe2Co square pyramids,  an edgeedge with one O(8)Li3Fe2Co octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li2Fe2Co square pyramid,  an edgeedge with one O(4)Li2Fe2Co square pyramid, and  an edgeedge with one O(12)LiFe3Co square pyramid. The corner-sharing octahedral tilt angles range from 2-7°. In the twelfth O site, O(12) is bonded to one Li(2), one Fe(1), one Fe(4), one Fe(5), and one Co(2) atom to form OLiFe3Co square pyramids that share  a cornercorner with one O(9)Li2Fe3Co octahedra,  a cornercorner with one O(5)Li3Fe2Co octahedra,  a cornercorner with one O(7)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li2Fe2Co square pyramid,  a cornercorner with one O(4)Li2Fe2Co square pyramid, corners with two equivalent O(2)LiFe3Co square pyramids, corners with two equivalent O(3)LiFe3Co square pyramids,  an edgeedge with one O(9)Li2Fe3Co octahedra, edges with two equivalent O(10)Li2Fe3Co octahedra, edges with two equivalent O(6)Li2Fe3Co octahedra,  an edgeedge with one O(11)Li2Fe2Co square pyramid,  an edgeedge with one O(2)LiFe3Co square pyramid, and  an edgeedge with one O(3)LiFe3Co square pyramid. The corner-sharing octahedral tilt angles range from 3-13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Fe5(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.916
_cell_length_b   5.228
_cell_length_c   9.811
_cell_angle_alpha   80.725
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.375
_cell_formula_units_Z   2
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  0.903  0.017  0.747  1.0
  Li  Li1  1  0.917  0.487  0.258  1.0
  Li  Li2  1  0.584  0.761  0.503  1.0
  Li  Li3  1  0.590  0.498  0.256  1.0
  Li  Li4  1  0.403  0.983  0.253  1.0
  Li  Li5  1  0.417  0.513  0.742  1.0
  Li  Li6  1  0.084  0.239  0.497  1.0
  Li  Li7  1  0.090  0.502  0.744  1.0
  Fe  Fe8  1  0.919  0.256  0.003  1.0
  Fe  Fe9  1  0.922  0.751  0.497  1.0
  Fe  Fe10  1  0.752  0.997  0.257  1.0
  Fe  Fe11  1  0.579  0.241  0.997  1.0
  Fe  Fe12  1  0.744  0.510  0.741  1.0
  Fe  Fe13  1  0.422  0.249  0.503  1.0
  Fe  Fe14  1  0.419  0.744  0.997  1.0
  Fe  Fe15  1  0.252  0.003  0.743  1.0
  Fe  Fe16  1  0.244  0.490  0.259  1.0
  Fe  Fe17  1  0.079  0.759  0.003  1.0
  Co  Co18  1  0.748  0.245  0.506  1.0
  Co  Co19  1  0.746  0.756  0.993  1.0
  Co  Co20  1  0.246  0.244  0.007  1.0
  Co  Co21  1  0.248  0.755  0.494  1.0
  O  O22  1  0.896  0.126  0.390  1.0
  O  O23  1  0.909  0.893  0.113  1.0
  O  O24  1  0.753  0.154  0.880  1.0
  O  O25  1  0.768  0.852  0.627  1.0
  O  O26  1  0.901  0.382  0.618  1.0
  O  O27  1  0.917  0.612  0.880  1.0
  O  O28  1  0.764  0.651  0.366  1.0
  O  O29  1  0.597  0.136  0.386  1.0
  O  O30  1  0.581  0.887  0.121  1.0
  O  O31  1  0.748  0.352  0.124  1.0
  O  O32  1  0.597  0.385  0.609  1.0
  O  O33  1  0.396  0.874  0.610  1.0
  O  O34  1  0.409  0.107  0.887  1.0
  O  O35  1  0.580  0.596  0.881  1.0
  O  O36  1  0.268  0.148  0.373  1.0
  O  O37  1  0.401  0.618  0.382  1.0
  O  O38  1  0.417  0.388  0.120  1.0
  O  O39  1  0.253  0.846  0.120  1.0
  O  O40  1  0.248  0.648  0.876  1.0
  O  O41  1  0.264  0.349  0.634  1.0
  O  O42  1  0.097  0.864  0.614  1.0
  O  O43  1  0.081  0.113  0.879  1.0
  O  O44  1  0.097  0.615  0.391  1.0
  O  O45  1  0.080  0.404  0.119  1.0
[/CIF]
.