The material described by Li2Fe(CoO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(12), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(6), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(12), one O(5), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(6), one O(8), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Co(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(12), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share edges with three equivalent Co(2)O6 octahedra and edges with three equivalent Co(3)O6 octahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share edges with three equivalent Fe(1)O6 octahedra and edges with three equivalent Co(4)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(12), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share edges with three equivalent Fe(2)O6 octahedra and edges with three equivalent Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(12), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share edges with three equivalent Fe(2)O6 octahedra and edges with three equivalent Co(2)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share edges with three equivalent Fe(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(2), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Co(1), and one Co(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Co(1), and one Co(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Fe(2), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Fe(1), one Co(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Fe(2), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Fe(2), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Fe(1), one Co(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 trigonal bipyramids. In the ninth O site, O(9) is bonded to one Li(2), one Li(4), one Fe(1), one Co(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 square pyramids. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Fe(1), one Co(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 square pyramids. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Fe(2), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 square pyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Fe(2), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 square pyramids. is represented by the CIF file [CIF]
data_Li2Fe(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.142
_cell_length_b   10.131
_cell_length_c   5.032
_cell_angle_alpha   90.076
_cell_angle_beta   59.128
_cell_angle_gamma   89.963
_symmetry_Int_Tables_number   1
_cell_volume   224.986
_cell_formula_units_Z   2
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  0.150  0.749  0.493  1.0
  Li  Li1  1  0.356  0.251  0.495  1.0
  Li  Li2  1  0.650  0.750  0.492  1.0
  Li  Li3  1  0.857  0.249  0.493  1.0
  Fe  Fe4  1  0.002  1.000  0.997  1.0
  Fe  Fe5  1  0.500  0.500  0.996  1.0
  Co  Co6  1  0.333  0.000  0.335  1.0
  Co  Co7  1  0.834  0.500  0.334  1.0
  Co  Co8  1  0.161  0.500  0.678  1.0
  Co  Co9  1  0.661  0.000  0.678  1.0
  O  O10  1  0.150  0.597  0.010  1.0
  O  O11  1  0.342  0.096  0.009  1.0
  O  O12  1  0.650  0.904  0.008  1.0
  O  O13  1  0.844  0.404  0.007  1.0
  O  O14  1  0.996  0.900  0.353  1.0
  O  O15  1  0.149  0.400  0.353  1.0
  O  O16  1  0.495  0.600  0.354  1.0
  O  O17  1  0.650  0.100  0.354  1.0
  O  O18  1  0.036  0.110  0.641  1.0
  O  O19  1  0.324  0.890  0.640  1.0
  O  O20  1  0.537  0.390  0.641  1.0
  O  O21  1  0.825  0.610  0.639  1.0
[/CIF]
.
The material described by Li2Fe(CoO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(12), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(6), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(12), one O(5), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(6), one O(8), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Co(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(12), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share edges with three equivalent Co(2)O6 octahedra and edges with three equivalent Co(3)O6 octahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share edges with three equivalent Fe(1)O6 octahedra and edges with three equivalent Co(4)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(12), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share edges with three equivalent Fe(2)O6 octahedra and edges with three equivalent Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(12), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share edges with three equivalent Fe(2)O6 octahedra and edges with three equivalent Co(2)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share edges with three equivalent Fe(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(2), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Co(1), and one Co(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Co(1), and one Co(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Fe(2), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Fe(1), one Co(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Fe(2), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Fe(2), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Fe(1), one Co(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 trigonal bipyramids. In the ninth O site, O(9) is bonded to one Li(2), one Li(4), one Fe(1), one Co(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 square pyramids. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Fe(1), one Co(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 square pyramids. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Fe(2), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 square pyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Fe(2), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 square pyramids. is represented by the CIF file [CIF]
data_Li2Fe(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.142
_cell_length_b   10.131
_cell_length_c   5.032
_cell_angle_alpha   90.076
_cell_angle_beta   59.128
_cell_angle_gamma   89.963
_symmetry_Int_Tables_number   1
_cell_volume   224.986
_cell_formula_units_Z   2
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  0.150  0.749  0.493  1.0
  Li  Li1  1  0.356  0.251  0.495  1.0
  Li  Li2  1  0.650  0.750  0.492  1.0
  Li  Li3  1  0.857  0.249  0.493  1.0
  Fe  Fe4  1  0.002  1.000  0.997  1.0
  Fe  Fe5  1  0.500  0.500  0.996  1.0
  Co  Co6  1  0.333  0.000  0.335  1.0
  Co  Co7  1  0.834  0.500  0.334  1.0
  Co  Co8  1  0.161  0.500  0.678  1.0
  Co  Co9  1  0.661  0.000  0.678  1.0
  O  O10  1  0.150  0.597  0.010  1.0
  O  O11  1  0.342  0.096  0.009  1.0
  O  O12  1  0.650  0.904  0.008  1.0
  O  O13  1  0.844  0.404  0.007  1.0
  O  O14  1  0.996  0.900  0.353  1.0
  O  O15  1  0.149  0.400  0.353  1.0
  O  O16  1  0.495  0.600  0.354  1.0
  O  O17  1  0.650  0.100  0.354  1.0
  O  O18  1  0.036  0.110  0.641  1.0
  O  O19  1  0.324  0.890  0.640  1.0
  O  O20  1  0.537  0.390  0.641  1.0
  O  O21  1  0.825  0.610  0.639  1.0
[/CIF]
.