The material structure described by Li6Fe3Co5O16 crystallizes in the monoclinic Pm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-22°. In the second Li site, Li(2) is bonded to one O(14), one O(9), two equivalent O(1), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the third Li site, Li(3) is bonded to one O(1), one O(12), two equivalent O(2), and two equivalent O(9) 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 two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the fourth Li site, Li(4) is bonded to one O(15), one O(2), two equivalent O(12), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the fifth Li site, Li(5) is bonded to one O(3), one O(8), two equivalent O(10), and two equivalent O(16) atoms to form LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the sixth Li site, Li(6) is bonded to one O(10), one O(6), two equivalent O(13), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Co(3)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(4), two equivalent O(11), 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(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-22°. In the second Fe site, Fe(2) is bonded to one O(1), one O(7), two equivalent O(14), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Fe site, Fe(3) is bonded to one O(2), one O(9), two equivalent O(1), and two equivalent O(12) atoms to form FeO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(5), two equivalent O(15), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second Co site, Co(2) is bonded to one O(15), one O(8), two equivalent O(16), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)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 11-15°. In the third Co site, Co(3) is bonded to one O(10), one O(16), two equivalent O(3), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Co site, Co(4) is bonded to one O(13), one O(3), two equivalent O(10), 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(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with four equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth Co site, Co(5) is bonded to one O(11), one O(6), two equivalent O(13), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(2), one Fe(2), and two equivalent Fe(3) atoms to form OLi3Fe3 octahedra that share corners with three equivalent O(12)Li3Fe2Co octahedra, corners with three equivalent O(7)Li2Fe3 square pyramids,  an edgeedge with one O(12)Li3Fe2Co octahedra, edges with two equivalent O(1)Li3Fe3 octahedra, edges with two equivalent O(2)Li3FeCo2 octahedra, edges with four equivalent O(9)Li3Fe3 octahedra, and  an edgeedge with one O(7)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(3), one Fe(3), and two equivalent Co(1) atoms to form OLi3FeCo2 octahedra that share corners with three equivalent O(9)Li3Fe3 octahedra,  an edgeedge with one O(9)Li3Fe3 octahedra, edges with two equivalent O(1)Li3Fe3 octahedra, edges with two equivalent O(2)Li3FeCo2 octahedra, edges with four equivalent O(12)Li3Fe2Co octahedra, and edges with two equivalent O(5)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the third O site, O(3) is bonded to one Li(5), two equivalent Li(6), one Co(4), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(13)Li3Co3 octahedra,  an edgeedge with one O(13)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with four equivalent O(10)Li3Co3 octahedra, and edges with two equivalent O(16)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the fourth O site, O(4) is bonded to one Li(1), one Fe(1), and two equivalent Co(5) atoms to form distorted OLiFeCo2 trigonal pyramids that share corners with three equivalent O(13)Li3Co3 octahedra, corners with two equivalent O(11)Li2Fe2Co square pyramids, corners with two equivalent O(7)Li2Fe3 square pyramids, corners with two equivalent O(4)LiFeCo2 trigonal pyramids,  an edgeedge with one O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, and edges with two equivalent O(11)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 2-13°. In the fifth O site, O(5) is bonded to two equivalent Li(4), one Co(1), and two equivalent Co(2) atoms to form OLi2Co3 square pyramids that share corners with three equivalent O(12)Li3Fe2Co octahedra, corners with two equivalent O(16)Li2Co3 square pyramids,  an edgeedge with one O(12)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3FeCo2 octahedra,  an edgeedge with one O(16)Li2Co3 square pyramid, and edges with two equivalent O(5)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles range from 5-9°. In the sixth O site, O(6) is bonded to one Li(6), two equivalent Li(1), one Co(5), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(10)Li3Co3 octahedra, corners with three equivalent O(11)Li2Fe2Co square pyramids,  an edgeedge with one O(10)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with four equivalent O(13)Li3Co3 octahedra,  an edgeedge with one O(11)Li2Fe2Co square pyramid, and edges with two equivalent O(4)LiFeCo2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 2-3°. In the seventh O site, O(7) 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(1)Li3Fe3 octahedra, corners with two equivalent O(11)Li2Fe2Co square pyramids, corners with two equivalent O(4)LiFeCo2 trigonal pyramids,  an edgeedge with one O(1)Li3Fe3 octahedra, edges with two equivalent O(9)Li3Fe3 octahedra,  an edgeedge with one O(11)Li2Fe2Co square pyramid, and edges with two equivalent O(7)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 1-12°. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(5), one Co(2), and two equivalent Co(3) atoms. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Li(3), one Fe(3), and two equivalent Fe(2) atoms to form OLi3Fe3 octahedra that share corners with three equivalent O(2)Li3FeCo2 octahedra,  an edgeedge with one O(2)Li3FeCo2 octahedra, edges with two equivalent O(12)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe3 octahedra, edges with four equivalent O(1)Li3Fe3 octahedra, and edges with two equivalent O(7)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the tenth O site, O(10) is bonded to one Li(6), two equivalent Li(5), one Co(3), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(6)Li3Co3 octahedra, corners with three equivalent O(16)Li2Co3 square pyramids,  an edgeedge with one O(6)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with four equivalent O(3)Li3Co3 octahedra, and  an edgeedge with one O(16)Li2Co3 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the eleventh O site, O(11) is bonded to two equivalent Li(1), two equivalent Fe(1), and one Co(5) atom to form OLi2Fe2Co square pyramids that share corners with three equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(7)Li2Fe3 square pyramids, corners with two equivalent O(4)LiFeCo2 trigonal pyramids,  an edgeedge with one O(6)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid, edges with two equivalent O(11)Li2Fe2Co square pyramids, and edges with two equivalent O(4)LiFeCo2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 2-14°. In the twelfth O site, O(12) is bonded to one Li(3), two equivalent Li(4), two equivalent Fe(3), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(1)Li3Fe3 octahedra, corners with three equivalent O(5)Li2Co3 square pyramids,  an edgeedge with one O(1)Li3Fe3 octahedra, edges with two equivalent O(12)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe3 octahedra, edges with four equivalent O(2)Li3FeCo2 octahedra, and  an edgeedge with one O(5)Li2Co3 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the thirteenth O site, O(13) is bonded to one Li(1), two equivalent Li(6), one Co(4), and two equivalent Co(5) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(4)LiFeCo2 trigonal pyramids,  an edgeedge with one O(3)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with four equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(11)Li2Fe2Co square pyramids, and  an edgeedge with one O(4)LiFeCo2 trigonal pyramid. The corner-sharing octahedral tilt angles are 1°. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), and two equivalent Fe(2) atoms. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(2), and two equivalent Co(1) atoms. In the sixteenth O site, O(16) is bonded to two equivalent Li(5), one Co(3), and two equivalent Co(2) atoms to form OLi2Co3 square pyramids that share corners with three equivalent O(10)Li3Co3 octahedra, corners with two equivalent O(5)Li2Co3 square pyramids,  an edgeedge with one O(10)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid, and edges with two equivalent O(16)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles range from 7-11°. is represented by the CIF file [CIF]
data_Li6Fe3Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   2.909
_cell_length_c   18.999
_cell_angle_alpha   90.000
_cell_angle_beta   85.648
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.859
_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  0.017  0.000  0.009  1.0
  Li  Li1  1  0.234  0.000  0.239  1.0
  Li  Li2  1  0.374  0.500  0.377  1.0
  Li  Li3  1  0.519  0.000  0.511  1.0
  Li  Li4  1  0.733  0.000  0.738  1.0
  Li  Li5  1  0.872  0.500  0.875  1.0
  Fe  Fe6  1  0.616  0.000  0.122  1.0
  Fe  Fe7  1  0.744  0.500  0.251  1.0
  Fe  Fe8  1  0.881  0.000  0.380  1.0
  Co  Co9  1  0.009  0.500  0.504  1.0
  Co  Co10  1  0.123  0.000  0.625  1.0
  Co  Co11  1  0.247  0.500  0.752  1.0
  Co  Co12  1  0.373  0.000  0.874  1.0
  Co  Co13  1  0.507  0.500  0.995  1.0
  O  O14  1  0.045  0.500  0.317  1.0
  O  O15  1  0.168  0.000  0.446  1.0
  O  O16  1  0.073  0.000  0.810  1.0
  O  O17  1  0.359  0.000  0.048  1.0
  O  O18  1  0.269  0.500  0.569  1.0
  O  O19  1  0.220  0.500  0.935  1.0
  O  O20  1  0.458  0.500  0.184  1.0
  O  O21  1  0.382  0.000  0.689  1.0
  O  O22  1  0.581  0.000  0.316  1.0
  O  O23  1  0.544  0.500  0.810  1.0
  O  O24  1  0.776  0.500  0.057  1.0
  O  O25  1  0.720  0.500  0.444  1.0
  O  O26  1  0.663  0.000  0.938  1.0
  O  O27  1  0.898  0.000  0.192  1.0
  O  O28  1  0.873  0.000  0.561  1.0
  O  O29  1  0.972  0.500  0.681  1.0
[/CIF]
.
The material structure described by Li6Fe3Co5O16 crystallizes in the monoclinic Pm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-22°. In the second Li site, Li(2) is bonded to one O(14), one O(9), two equivalent O(1), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the third Li site, Li(3) is bonded to one O(1), one O(12), two equivalent O(2), and two equivalent O(9) 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 two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the fourth Li site, Li(4) is bonded to one O(15), one O(2), two equivalent O(12), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the fifth Li site, Li(5) is bonded to one O(3), one O(8), two equivalent O(10), and two equivalent O(16) atoms to form LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the sixth Li site, Li(6) is bonded to one O(10), one O(6), two equivalent O(13), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Co(3)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(4), two equivalent O(11), 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(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-22°. In the second Fe site, Fe(2) is bonded to one O(1), one O(7), two equivalent O(14), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Fe site, Fe(3) is bonded to one O(2), one O(9), two equivalent O(1), and two equivalent O(12) atoms to form FeO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(5), two equivalent O(15), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second Co site, Co(2) is bonded to one O(15), one O(8), two equivalent O(16), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)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 11-15°. In the third Co site, Co(3) is bonded to one O(10), one O(16), two equivalent O(3), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Co site, Co(4) is bonded to one O(13), one O(3), two equivalent O(10), 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(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with four equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth Co site, Co(5) is bonded to one O(11), one O(6), two equivalent O(13), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(2), one Fe(2), and two equivalent Fe(3) atoms to form OLi3Fe3 octahedra that share corners with three equivalent O(12)Li3Fe2Co octahedra, corners with three equivalent O(7)Li2Fe3 square pyramids,  an edgeedge with one O(12)Li3Fe2Co octahedra, edges with two equivalent O(1)Li3Fe3 octahedra, edges with two equivalent O(2)Li3FeCo2 octahedra, edges with four equivalent O(9)Li3Fe3 octahedra, and  an edgeedge with one O(7)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(3), one Fe(3), and two equivalent Co(1) atoms to form OLi3FeCo2 octahedra that share corners with three equivalent O(9)Li3Fe3 octahedra,  an edgeedge with one O(9)Li3Fe3 octahedra, edges with two equivalent O(1)Li3Fe3 octahedra, edges with two equivalent O(2)Li3FeCo2 octahedra, edges with four equivalent O(12)Li3Fe2Co octahedra, and edges with two equivalent O(5)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the third O site, O(3) is bonded to one Li(5), two equivalent Li(6), one Co(4), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(13)Li3Co3 octahedra,  an edgeedge with one O(13)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with four equivalent O(10)Li3Co3 octahedra, and edges with two equivalent O(16)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the fourth O site, O(4) is bonded to one Li(1), one Fe(1), and two equivalent Co(5) atoms to form distorted OLiFeCo2 trigonal pyramids that share corners with three equivalent O(13)Li3Co3 octahedra, corners with two equivalent O(11)Li2Fe2Co square pyramids, corners with two equivalent O(7)Li2Fe3 square pyramids, corners with two equivalent O(4)LiFeCo2 trigonal pyramids,  an edgeedge with one O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, and edges with two equivalent O(11)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 2-13°. In the fifth O site, O(5) is bonded to two equivalent Li(4), one Co(1), and two equivalent Co(2) atoms to form OLi2Co3 square pyramids that share corners with three equivalent O(12)Li3Fe2Co octahedra, corners with two equivalent O(16)Li2Co3 square pyramids,  an edgeedge with one O(12)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3FeCo2 octahedra,  an edgeedge with one O(16)Li2Co3 square pyramid, and edges with two equivalent O(5)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles range from 5-9°. In the sixth O site, O(6) is bonded to one Li(6), two equivalent Li(1), one Co(5), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(10)Li3Co3 octahedra, corners with three equivalent O(11)Li2Fe2Co square pyramids,  an edgeedge with one O(10)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with four equivalent O(13)Li3Co3 octahedra,  an edgeedge with one O(11)Li2Fe2Co square pyramid, and edges with two equivalent O(4)LiFeCo2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 2-3°. In the seventh O site, O(7) 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(1)Li3Fe3 octahedra, corners with two equivalent O(11)Li2Fe2Co square pyramids, corners with two equivalent O(4)LiFeCo2 trigonal pyramids,  an edgeedge with one O(1)Li3Fe3 octahedra, edges with two equivalent O(9)Li3Fe3 octahedra,  an edgeedge with one O(11)Li2Fe2Co square pyramid, and edges with two equivalent O(7)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 1-12°. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(5), one Co(2), and two equivalent Co(3) atoms. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Li(3), one Fe(3), and two equivalent Fe(2) atoms to form OLi3Fe3 octahedra that share corners with three equivalent O(2)Li3FeCo2 octahedra,  an edgeedge with one O(2)Li3FeCo2 octahedra, edges with two equivalent O(12)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe3 octahedra, edges with four equivalent O(1)Li3Fe3 octahedra, and edges with two equivalent O(7)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the tenth O site, O(10) is bonded to one Li(6), two equivalent Li(5), one Co(3), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(6)Li3Co3 octahedra, corners with three equivalent O(16)Li2Co3 square pyramids,  an edgeedge with one O(6)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with four equivalent O(3)Li3Co3 octahedra, and  an edgeedge with one O(16)Li2Co3 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the eleventh O site, O(11) is bonded to two equivalent Li(1), two equivalent Fe(1), and one Co(5) atom to form OLi2Fe2Co square pyramids that share corners with three equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(7)Li2Fe3 square pyramids, corners with two equivalent O(4)LiFeCo2 trigonal pyramids,  an edgeedge with one O(6)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid, edges with two equivalent O(11)Li2Fe2Co square pyramids, and edges with two equivalent O(4)LiFeCo2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 2-14°. In the twelfth O site, O(12) is bonded to one Li(3), two equivalent Li(4), two equivalent Fe(3), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(1)Li3Fe3 octahedra, corners with three equivalent O(5)Li2Co3 square pyramids,  an edgeedge with one O(1)Li3Fe3 octahedra, edges with two equivalent O(12)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe3 octahedra, edges with four equivalent O(2)Li3FeCo2 octahedra, and  an edgeedge with one O(5)Li2Co3 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the thirteenth O site, O(13) is bonded to one Li(1), two equivalent Li(6), one Co(4), and two equivalent Co(5) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(4)LiFeCo2 trigonal pyramids,  an edgeedge with one O(3)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with four equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(11)Li2Fe2Co square pyramids, and  an edgeedge with one O(4)LiFeCo2 trigonal pyramid. The corner-sharing octahedral tilt angles are 1°. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), and two equivalent Fe(2) atoms. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(2), and two equivalent Co(1) atoms. In the sixteenth O site, O(16) is bonded to two equivalent Li(5), one Co(3), and two equivalent Co(2) atoms to form OLi2Co3 square pyramids that share corners with three equivalent O(10)Li3Co3 octahedra, corners with two equivalent O(5)Li2Co3 square pyramids,  an edgeedge with one O(10)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid, and edges with two equivalent O(16)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles range from 7-11°. is represented by the CIF file [CIF]
data_Li6Fe3Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   2.909
_cell_length_c   18.999
_cell_angle_alpha   90.000
_cell_angle_beta   85.648
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.859
_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  0.017  0.000  0.009  1.0
  Li  Li1  1  0.234  0.000  0.239  1.0
  Li  Li2  1  0.374  0.500  0.377  1.0
  Li  Li3  1  0.519  0.000  0.511  1.0
  Li  Li4  1  0.733  0.000  0.738  1.0
  Li  Li5  1  0.872  0.500  0.875  1.0
  Fe  Fe6  1  0.616  0.000  0.122  1.0
  Fe  Fe7  1  0.744  0.500  0.251  1.0
  Fe  Fe8  1  0.881  0.000  0.380  1.0
  Co  Co9  1  0.009  0.500  0.504  1.0
  Co  Co10  1  0.123  0.000  0.625  1.0
  Co  Co11  1  0.247  0.500  0.752  1.0
  Co  Co12  1  0.373  0.000  0.874  1.0
  Co  Co13  1  0.507  0.500  0.995  1.0
  O  O14  1  0.045  0.500  0.317  1.0
  O  O15  1  0.168  0.000  0.446  1.0
  O  O16  1  0.073  0.000  0.810  1.0
  O  O17  1  0.359  0.000  0.048  1.0
  O  O18  1  0.269  0.500  0.569  1.0
  O  O19  1  0.220  0.500  0.935  1.0
  O  O20  1  0.458  0.500  0.184  1.0
  O  O21  1  0.382  0.000  0.689  1.0
  O  O22  1  0.581  0.000  0.316  1.0
  O  O23  1  0.544  0.500  0.810  1.0
  O  O24  1  0.776  0.500  0.057  1.0
  O  O25  1  0.720  0.500  0.444  1.0
  O  O26  1  0.663  0.000  0.938  1.0
  O  O27  1  0.898  0.000  0.192  1.0
  O  O28  1  0.873  0.000  0.561  1.0
  O  O29  1  0.972  0.500  0.681  1.0
[/CIF]
.