The structure described by Li4Fe3CoO8 is alpha Po-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms 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 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 4-6°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms 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 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 4-6°. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(2) and three equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share corners with six equivalent O(1)Li3Fe3 octahedra and edges with twelve equivalent O(2)Li3Fe2Co octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) 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 six equivalent O(2)Li3Fe2Co octahedra, edges with four equivalent O(1)Li3Fe3 octahedra, and edges with eight equivalent O(2)Li3Fe2Co octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li4Fe3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.330
_cell_length_b   10.330
_cell_length_c   14.633
_cell_angle_alpha   19.206
_cell_angle_beta   19.206
_cell_angle_gamma   33.103
_symmetry_Int_Tables_number   1
_cell_volume   146.357
_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  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Fe  Fe4  1  1.000  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.000  1.000  1.0
  Fe  Fe6  1  0.500  0.500  0.000  1.0
  Co  Co7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.000  0.000  0.256  1.0
  O  O9  1  0.000  0.514  0.249  1.0
  O  O10  1  0.514  0.000  0.249  1.0
  O  O11  1  1.000  1.000  0.744  1.0
  O  O12  1  0.486  0.486  0.277  1.0
  O  O13  1  1.000  0.486  0.751  1.0
  O  O14  1  0.486  1.000  0.751  1.0
  O  O15  1  0.514  0.514  0.723  1.0
[/CIF]
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The structure described by Li4Fe3CoO8 is alpha Po-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms 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 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 4-6°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms 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 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 4-6°. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(2) and three equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share corners with six equivalent O(1)Li3Fe3 octahedra and edges with twelve equivalent O(2)Li3Fe2Co octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) 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 six equivalent O(2)Li3Fe2Co octahedra, edges with four equivalent O(1)Li3Fe3 octahedra, and edges with eight equivalent O(2)Li3Fe2Co octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li4Fe3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.330
_cell_length_b   10.330
_cell_length_c   14.633
_cell_angle_alpha   19.206
_cell_angle_beta   19.206
_cell_angle_gamma   33.103
_symmetry_Int_Tables_number   1
_cell_volume   146.357
_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  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Fe  Fe4  1  1.000  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.000  1.000  1.0
  Fe  Fe6  1  0.500  0.500  0.000  1.0
  Co  Co7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.000  0.000  0.256  1.0
  O  O9  1  0.000  0.514  0.249  1.0
  O  O10  1  0.514  0.000  0.249  1.0
  O  O11  1  1.000  1.000  0.744  1.0
  O  O12  1  0.486  0.486  0.277  1.0
  O  O13  1  1.000  0.486  0.751  1.0
  O  O14  1  0.486  1.000  0.751  1.0
  O  O15  1  0.514  0.514  0.723  1.0
[/CIF]
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