The material described by Li4Fe3Co5O16 crystallizes in the monoclinic P2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(8), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the second Li site, Li(2) is bonded to two equivalent O(5) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third Li site, Li(3) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one 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 8-15°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form FeO6 octahedra that share 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. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(7), two equivalent O(2), and two equivalent O(8) atoms to form CoO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(3), one O(8), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)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 corner-sharing octahedral tilt angles range from 10-13°. In the third Co site, Co(3) is bonded to two equivalent O(6) and four equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) 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 two equivalent O(7)Li2Fe2Co square pyramids, corners with three equivalent O(1)Li2Fe3 square pyramids,  an edgeedge with one O(7)Li2Fe2Co square pyramid, and edges with three equivalent O(1)Li2Fe3 square pyramids. In the second O site, O(2) is bonded in a see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), and two equivalent Co(3) atoms. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form OLi2Co3 square pyramids that share corners with two equivalent O(6)Li2Co3 square pyramids, corners with three equivalent O(7)Li2Fe2Co square pyramids,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(7)Li2Fe2Co square pyramid, and edges with two equivalent O(4)Li2Co3 square pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), and two equivalent Fe(2) atoms. In the sixth O site, O(6) is bonded to two equivalent Li(3), one Co(3), and two equivalent Co(2) atoms to form a mixture of edge and corner-sharing OLi2Co3 square pyramids. In the seventh O site, O(7) is bonded to two equivalent Li(1), two equivalent Fe(1), and one Co(1) atom to form OLi2Fe2Co square pyramids that share corners with two equivalent O(1)Li2Fe3 square pyramids, corners with three equivalent O(4)Li2Co3 square pyramids,  an edgeedge with one O(4)Li2Co3 square pyramid,  an edgeedge with one O(1)Li2Fe3 square pyramid, and edges with two equivalent O(7)Li2Fe2Co square pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Li4Fe3Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.931
_cell_length_b   5.161
_cell_length_c   19.183
_cell_angle_alpha   86.022
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.477
_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  0.000  0.250  0.746  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Li  Li2  1  0.000  0.750  0.254  1.0
  Li  Li3  1  0.000  0.000  0.500  1.0
  Fe  Fe4  1  0.000  0.876  0.871  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.124  0.129  1.0
  Co  Co7  1  0.500  0.253  0.254  1.0
  Co  Co8  1  0.000  0.375  0.377  1.0
  Co  Co9  1  0.500  0.500  0.500  1.0
  Co  Co10  1  0.000  0.625  0.623  1.0
  Co  Co11  1  0.500  0.747  0.746  1.0
  O  O12  1  0.500  0.279  0.064  1.0
  O  O13  1  0.000  0.399  0.202  1.0
  O  O14  1  0.000  0.354  0.553  1.0
  O  O15  1  0.000  0.601  0.798  1.0
  O  O16  1  0.500  0.524  0.314  1.0
  O  O17  1  0.500  0.476  0.686  1.0
  O  O18  1  0.500  0.721  0.936  1.0
  O  O19  1  0.000  0.646  0.447  1.0
  O  O20  1  0.000  0.841  0.058  1.0
  O  O21  1  0.500  0.774  0.559  1.0
  O  O22  1  0.500  0.021  0.805  1.0
  O  O23  1  0.500  0.979  0.195  1.0
  O  O24  1  0.000  0.894  0.692  1.0
  O  O25  1  0.000  0.159  0.942  1.0
  O  O26  1  0.000  0.106  0.308  1.0
  O  O27  1  0.500  0.226  0.441  1.0
[/CIF]
.
The material described by Li4Fe3Co5O16 crystallizes in the monoclinic P2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(8), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the second Li site, Li(2) is bonded to two equivalent O(5) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third Li site, Li(3) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one 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 8-15°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form FeO6 octahedra that share 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. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(7), two equivalent O(2), and two equivalent O(8) atoms to form CoO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(3), one O(8), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)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 corner-sharing octahedral tilt angles range from 10-13°. In the third Co site, Co(3) is bonded to two equivalent O(6) and four equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) 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 two equivalent O(7)Li2Fe2Co square pyramids, corners with three equivalent O(1)Li2Fe3 square pyramids,  an edgeedge with one O(7)Li2Fe2Co square pyramid, and edges with three equivalent O(1)Li2Fe3 square pyramids. In the second O site, O(2) is bonded in a see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), and two equivalent Co(3) atoms. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form OLi2Co3 square pyramids that share corners with two equivalent O(6)Li2Co3 square pyramids, corners with three equivalent O(7)Li2Fe2Co square pyramids,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(7)Li2Fe2Co square pyramid, and edges with two equivalent O(4)Li2Co3 square pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), and two equivalent Fe(2) atoms. In the sixth O site, O(6) is bonded to two equivalent Li(3), one Co(3), and two equivalent Co(2) atoms to form a mixture of edge and corner-sharing OLi2Co3 square pyramids. In the seventh O site, O(7) is bonded to two equivalent Li(1), two equivalent Fe(1), and one Co(1) atom to form OLi2Fe2Co square pyramids that share corners with two equivalent O(1)Li2Fe3 square pyramids, corners with three equivalent O(4)Li2Co3 square pyramids,  an edgeedge with one O(4)Li2Co3 square pyramid,  an edgeedge with one O(1)Li2Fe3 square pyramid, and edges with two equivalent O(7)Li2Fe2Co square pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Li4Fe3Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.931
_cell_length_b   5.161
_cell_length_c   19.183
_cell_angle_alpha   86.022
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.477
_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  0.000  0.250  0.746  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Li  Li2  1  0.000  0.750  0.254  1.0
  Li  Li3  1  0.000  0.000  0.500  1.0
  Fe  Fe4  1  0.000  0.876  0.871  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.124  0.129  1.0
  Co  Co7  1  0.500  0.253  0.254  1.0
  Co  Co8  1  0.000  0.375  0.377  1.0
  Co  Co9  1  0.500  0.500  0.500  1.0
  Co  Co10  1  0.000  0.625  0.623  1.0
  Co  Co11  1  0.500  0.747  0.746  1.0
  O  O12  1  0.500  0.279  0.064  1.0
  O  O13  1  0.000  0.399  0.202  1.0
  O  O14  1  0.000  0.354  0.553  1.0
  O  O15  1  0.000  0.601  0.798  1.0
  O  O16  1  0.500  0.524  0.314  1.0
  O  O17  1  0.500  0.476  0.686  1.0
  O  O18  1  0.500  0.721  0.936  1.0
  O  O19  1  0.000  0.646  0.447  1.0
  O  O20  1  0.000  0.841  0.058  1.0
  O  O21  1  0.500  0.774  0.559  1.0
  O  O22  1  0.500  0.021  0.805  1.0
  O  O23  1  0.500  0.979  0.195  1.0
  O  O24  1  0.000  0.894  0.692  1.0
  O  O25  1  0.000  0.159  0.942  1.0
  O  O26  1  0.000  0.106  0.308  1.0
  O  O27  1  0.500  0.226  0.441  1.0
[/CIF]
.