The material structure described by Li3Fe3CoO8 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, 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(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, 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(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Fe site, Fe(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Co(1) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(1)Li2Fe2Co square pyramid,  a cornercorner with one O(3)Li2Fe2Co square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid, corners with six equivalent O(6)Li2Fe2Co square pyramids, edges with two equivalent O(4)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe2Co square pyramid,  an edgeedge with one O(3)Li2Fe2Co square pyramid,  an edgeedge with one O(6)Li2Fe2Co square pyramid, and  an edgeedge with one O(5)Li2Fe3 square pyramid. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Fe(2), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share corners with three equivalent O(4)Li3Fe2Co octahedra, corners with three equivalent O(5)Li2Fe3 square pyramids,  an edgeedge with one O(4)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li2Fe3 square pyramid, edges with two equivalent O(3)Li2Fe2Co square pyramids, edges with four equivalent O(1)Li2Fe2Co square pyramids, and edges with four equivalent O(6)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(3) is bonded to two equivalent Li(2), two equivalent Fe(1), and one Co(1) atom to form OLi2Fe2Co square pyramids that share corners with three equivalent O(4)Li3Fe2Co octahedra, corners with two equivalent O(1)Li2Fe2Co square pyramids, corners with two equivalent O(6)Li2Fe2Co square pyramids, corners with two equivalent O(5)Li2Fe3 square pyramids,  an edgeedge with one O(4)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(5)Li2Fe3 square pyramid, edges with two equivalent O(1)Li2Fe2Co square pyramids, and edges with two equivalent O(6)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), two equivalent Fe(1), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(2)Li3Fe3 octahedra, corners with three equivalent O(3)Li2Fe2Co square pyramids,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li2Fe2Co square pyramid, edges with two equivalent O(5)Li2Fe3 square pyramids, edges with four equivalent O(1)Li2Fe2Co square pyramids, and edges with four equivalent O(6)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles are 2°. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Fe(2), and two equivalent Fe(1) atoms to form OLi2Fe3 square pyramids that share corners with three equivalent O(2)Li3Fe3 octahedra, corners with two equivalent O(1)Li2Fe2Co square pyramids, corners with two equivalent O(3)Li2Fe2Co square pyramids, corners with two equivalent O(6)Li2Fe2Co square pyramids,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(4)Li3Fe2Co octahedra,  an edgeedge with one O(3)Li2Fe2Co square pyramid, edges with two equivalent O(1)Li2Fe2Co square pyramids, and edges with two equivalent O(6)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 1-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Co(1) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(3)Li2Fe2Co square pyramid,  a cornercorner with one O(6)Li2Fe2Co square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid, corners with six equivalent O(1)Li2Fe2Co square pyramids, edges with two equivalent O(4)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe2Co square pyramid,  an edgeedge with one O(3)Li2Fe2Co square pyramid,  an edgeedge with one O(6)Li2Fe2Co square pyramid, and  an edgeedge with one O(5)Li2Fe3 square pyramid. is represented by the CIF file [CIF]
data_Li3Fe3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.916
_cell_length_b   5.916
_cell_length_c   5.041
_cell_angle_alpha   73.963
_cell_angle_beta   73.963
_cell_angle_gamma   59.314
_symmetry_Int_Tables_number   1
_cell_volume   143.847
_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  0.752  0.752  0.492  1.0
  Li  Li1  1  0.011  0.489  0.997  1.0
  Li  Li2  1  0.489  0.011  0.997  1.0
  Fe  Fe3  1  0.757  0.245  0.500  1.0
  Fe  Fe4  1  0.245  0.757  0.500  1.0
  Fe  Fe5  1  0.498  0.498  0.005  1.0
  Co  Co6  1  0.001  0.001  0.996  1.0
  O  O7  1  0.848  0.365  0.778  1.0
  O  O8  1  0.365  0.848  0.778  1.0
  O  O9  1  0.610  0.610  0.251  1.0
  O  O10  1  0.110  0.110  0.242  1.0
  O  O11  1  0.886  0.886  0.744  1.0
  O  O12  1  0.392  0.392  0.763  1.0
  O  O13  1  0.652  0.136  0.222  1.0
  O  O14  1  0.136  0.652  0.222  1.0
[/CIF]
.
The material structure described by Li3Fe3CoO8 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, 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(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, 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(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Fe site, Fe(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Co(1) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(1)Li2Fe2Co square pyramid,  a cornercorner with one O(3)Li2Fe2Co square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid, corners with six equivalent O(6)Li2Fe2Co square pyramids, edges with two equivalent O(4)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe2Co square pyramid,  an edgeedge with one O(3)Li2Fe2Co square pyramid,  an edgeedge with one O(6)Li2Fe2Co square pyramid, and  an edgeedge with one O(5)Li2Fe3 square pyramid. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Fe(2), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share corners with three equivalent O(4)Li3Fe2Co octahedra, corners with three equivalent O(5)Li2Fe3 square pyramids,  an edgeedge with one O(4)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li2Fe3 square pyramid, edges with two equivalent O(3)Li2Fe2Co square pyramids, edges with four equivalent O(1)Li2Fe2Co square pyramids, and edges with four equivalent O(6)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(3) is bonded to two equivalent Li(2), two equivalent Fe(1), and one Co(1) atom to form OLi2Fe2Co square pyramids that share corners with three equivalent O(4)Li3Fe2Co octahedra, corners with two equivalent O(1)Li2Fe2Co square pyramids, corners with two equivalent O(6)Li2Fe2Co square pyramids, corners with two equivalent O(5)Li2Fe3 square pyramids,  an edgeedge with one O(4)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(5)Li2Fe3 square pyramid, edges with two equivalent O(1)Li2Fe2Co square pyramids, and edges with two equivalent O(6)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), two equivalent Fe(1), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(2)Li3Fe3 octahedra, corners with three equivalent O(3)Li2Fe2Co square pyramids,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li2Fe2Co square pyramid, edges with two equivalent O(5)Li2Fe3 square pyramids, edges with four equivalent O(1)Li2Fe2Co square pyramids, and edges with four equivalent O(6)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles are 2°. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Fe(2), and two equivalent Fe(1) atoms to form OLi2Fe3 square pyramids that share corners with three equivalent O(2)Li3Fe3 octahedra, corners with two equivalent O(1)Li2Fe2Co square pyramids, corners with two equivalent O(3)Li2Fe2Co square pyramids, corners with two equivalent O(6)Li2Fe2Co square pyramids,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(4)Li3Fe2Co octahedra,  an edgeedge with one O(3)Li2Fe2Co square pyramid, edges with two equivalent O(1)Li2Fe2Co square pyramids, and edges with two equivalent O(6)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 1-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Co(1) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(3)Li2Fe2Co square pyramid,  a cornercorner with one O(6)Li2Fe2Co square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid, corners with six equivalent O(1)Li2Fe2Co square pyramids, edges with two equivalent O(4)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe2Co square pyramid,  an edgeedge with one O(3)Li2Fe2Co square pyramid,  an edgeedge with one O(6)Li2Fe2Co square pyramid, and  an edgeedge with one O(5)Li2Fe3 square pyramid. is represented by the CIF file [CIF]
data_Li3Fe3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.916
_cell_length_b   5.916
_cell_length_c   5.041
_cell_angle_alpha   73.963
_cell_angle_beta   73.963
_cell_angle_gamma   59.314
_symmetry_Int_Tables_number   1
_cell_volume   143.847
_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  0.752  0.752  0.492  1.0
  Li  Li1  1  0.011  0.489  0.997  1.0
  Li  Li2  1  0.489  0.011  0.997  1.0
  Fe  Fe3  1  0.757  0.245  0.500  1.0
  Fe  Fe4  1  0.245  0.757  0.500  1.0
  Fe  Fe5  1  0.498  0.498  0.005  1.0
  Co  Co6  1  0.001  0.001  0.996  1.0
  O  O7  1  0.848  0.365  0.778  1.0
  O  O8  1  0.365  0.848  0.778  1.0
  O  O9  1  0.610  0.610  0.251  1.0
  O  O10  1  0.110  0.110  0.242  1.0
  O  O11  1  0.886  0.886  0.744  1.0
  O  O12  1  0.392  0.392  0.763  1.0
  O  O13  1  0.652  0.136  0.222  1.0
  O  O14  1  0.136  0.652  0.222  1.0
[/CIF]
.