The compound described by Li6Fe5CoO12 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-50°. In the second Li site, Li(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with six equivalent Fe(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-52°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with twelve equivalent Li(1)O6 octahedra, edges with six equivalent Fe(3)O6 octahedra, and faces with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the third Fe site, Fe(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, corners with six equivalent Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. Co(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Fe(1), and two equivalent Fe(3) atoms to form distorted OLi3Fe3 pentagonal pyramids that share  a cornercorner with one O(2)Li3Fe2Co octahedra, corners with two equivalent O(4)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li3Fe3 pentagonal pyramid, corners with two equivalent O(3)Li3Fe3 pentagonal pyramids,  an edgeedge with one O(2)Li3Fe2Co octahedra, edges with two equivalent O(4)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 pentagonal pyramid, and edges with eight equivalent O(3)Li3Fe3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 5-9°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Fe(2), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(2)Li3Fe2Co octahedra, corners with two equivalent O(4)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li3Fe3 pentagonal pyramid, corners with two equivalent O(3)Li3Fe3 pentagonal pyramids,  an edgeedge with one O(2)Li3Fe2Co octahedra, edges with eight equivalent O(4)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 pentagonal pyramid, and edges with two equivalent O(3)Li3Fe3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Fe(1), and two equivalent Fe(3) atoms to form distorted OLi3Fe3 pentagonal pyramids that share  a cornercorner with one O(2)Li3Fe2Co octahedra, corners with two equivalent O(4)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li3Fe3 pentagonal pyramid, corners with two equivalent O(3)Li3Fe3 pentagonal pyramids,  an edgeedge with one O(2)Li3Fe2Co octahedra, edges with two equivalent O(4)Li3Fe2Co octahedra, edges with four equivalent O(1)Li3Fe3 pentagonal pyramids, and edges with five equivalent O(3)Li3Fe3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-6°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(1), two equivalent Fe(2), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(2)Li3Fe2Co octahedra, corners with two equivalent O(4)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li3Fe3 pentagonal pyramid, corners with two equivalent O(3)Li3Fe3 pentagonal pyramids, edges with four equivalent O(2)Li3Fe2Co octahedra, edges with five equivalent O(4)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 pentagonal pyramid, and edges with two equivalent O(3)Li3Fe3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF file [CIF]
data_Li6Fe5CoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   5.096
_cell_length_c   10.103
_cell_angle_alpha   85.825
_cell_angle_beta   85.825
_cell_angle_gamma   120.124
_symmetry_Int_Tables_number   1
_cell_volume   224.552
_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  0.734  0.058  0.758  1.0
  Li  Li1  1  0.058  0.734  0.758  1.0
  Li  Li2  1  0.620  0.620  0.242  1.0
  Li  Li3  1  0.380  0.380  0.758  1.0
  Li  Li4  1  0.942  0.266  0.242  1.0
  Li  Li5  1  0.266  0.942  0.242  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.333  0.667  0.000  1.0
  Fe  Fe8  1  0.667  0.333  0.000  1.0
  Fe  Fe9  1  0.833  0.167  0.500  1.0
  Fe  Fe10  1  0.167  0.833  0.500  1.0
  Co  Co11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.871  0.871  0.385  1.0
  O  O13  1  0.709  0.709  0.891  1.0
  O  O14  1  0.796  0.463  0.615  1.0
  O  O15  1  0.463  0.796  0.615  1.0
  O  O16  1  0.030  0.352  0.890  1.0
  O  O17  1  0.352  0.030  0.890  1.0
  O  O18  1  0.648  0.970  0.110  1.0
  O  O19  1  0.970  0.648  0.110  1.0
  O  O20  1  0.537  0.204  0.385  1.0
  O  O21  1  0.204  0.537  0.385  1.0
  O  O22  1  0.291  0.291  0.109  1.0
  O  O23  1  0.129  0.129  0.615  1.0
[/CIF]
.
The compound described by Li6Fe5CoO12 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-50°. In the second Li site, Li(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with six equivalent Fe(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-52°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with twelve equivalent Li(1)O6 octahedra, edges with six equivalent Fe(3)O6 octahedra, and faces with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the third Fe site, Fe(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, corners with six equivalent Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. Co(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Fe(1), and two equivalent Fe(3) atoms to form distorted OLi3Fe3 pentagonal pyramids that share  a cornercorner with one O(2)Li3Fe2Co octahedra, corners with two equivalent O(4)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li3Fe3 pentagonal pyramid, corners with two equivalent O(3)Li3Fe3 pentagonal pyramids,  an edgeedge with one O(2)Li3Fe2Co octahedra, edges with two equivalent O(4)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 pentagonal pyramid, and edges with eight equivalent O(3)Li3Fe3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 5-9°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Fe(2), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(2)Li3Fe2Co octahedra, corners with two equivalent O(4)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li3Fe3 pentagonal pyramid, corners with two equivalent O(3)Li3Fe3 pentagonal pyramids,  an edgeedge with one O(2)Li3Fe2Co octahedra, edges with eight equivalent O(4)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 pentagonal pyramid, and edges with two equivalent O(3)Li3Fe3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Fe(1), and two equivalent Fe(3) atoms to form distorted OLi3Fe3 pentagonal pyramids that share  a cornercorner with one O(2)Li3Fe2Co octahedra, corners with two equivalent O(4)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li3Fe3 pentagonal pyramid, corners with two equivalent O(3)Li3Fe3 pentagonal pyramids,  an edgeedge with one O(2)Li3Fe2Co octahedra, edges with two equivalent O(4)Li3Fe2Co octahedra, edges with four equivalent O(1)Li3Fe3 pentagonal pyramids, and edges with five equivalent O(3)Li3Fe3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-6°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(1), two equivalent Fe(2), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(2)Li3Fe2Co octahedra, corners with two equivalent O(4)Li3Fe2Co octahedra,  a cornercorner with one O(1)Li3Fe3 pentagonal pyramid, corners with two equivalent O(3)Li3Fe3 pentagonal pyramids, edges with four equivalent O(2)Li3Fe2Co octahedra, edges with five equivalent O(4)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 pentagonal pyramid, and edges with two equivalent O(3)Li3Fe3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF file [CIF]
data_Li6Fe5CoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   5.096
_cell_length_c   10.103
_cell_angle_alpha   85.825
_cell_angle_beta   85.825
_cell_angle_gamma   120.124
_symmetry_Int_Tables_number   1
_cell_volume   224.552
_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  0.734  0.058  0.758  1.0
  Li  Li1  1  0.058  0.734  0.758  1.0
  Li  Li2  1  0.620  0.620  0.242  1.0
  Li  Li3  1  0.380  0.380  0.758  1.0
  Li  Li4  1  0.942  0.266  0.242  1.0
  Li  Li5  1  0.266  0.942  0.242  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.333  0.667  0.000  1.0
  Fe  Fe8  1  0.667  0.333  0.000  1.0
  Fe  Fe9  1  0.833  0.167  0.500  1.0
  Fe  Fe10  1  0.167  0.833  0.500  1.0
  Co  Co11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.871  0.871  0.385  1.0
  O  O13  1  0.709  0.709  0.891  1.0
  O  O14  1  0.796  0.463  0.615  1.0
  O  O15  1  0.463  0.796  0.615  1.0
  O  O16  1  0.030  0.352  0.890  1.0
  O  O17  1  0.352  0.030  0.890  1.0
  O  O18  1  0.648  0.970  0.110  1.0
  O  O19  1  0.970  0.648  0.110  1.0
  O  O20  1  0.537  0.204  0.385  1.0
  O  O21  1  0.204  0.537  0.385  1.0
  O  O22  1  0.291  0.291  0.109  1.0
  O  O23  1  0.129  0.129  0.615  1.0
[/CIF]
.