The crystal structure 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 to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-55°. In the second Li site, Li(2) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and  a faceface with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-51°. In the fourth Li site, Li(4) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-52°. 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  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. 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 corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are four inequivalent Co sites. In the first Co site, Co(1) 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 corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, edges with three equivalent Co(4)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. In the second Co site, Co(2) 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  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Co site, Co(3) 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  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the fourth Co site, Co(4) 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 corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Fe(2), one Co(1), and one Co(4) atom. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Fe(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2FeCo2 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Fe(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2FeCo2 square pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Fe(2), one Co(1), and one Co(4) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Fe(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2FeCo2 square pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Fe(2), one Co(1), and one Co(4) 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(1), and one Co(4) 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(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2FeCo2 square pyramids. In the ninth O site, O(9) is bonded to one Li(2), one Li(4), one Fe(1), one Co(2), and one Co(3) atom to form a mixture of 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(2), and one Co(3) atom to form a mixture of 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(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Fe(2), one Co(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li2Fe(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.020
_cell_length_b   10.101
_cell_length_c   5.028
_cell_angle_alpha   85.619
_cell_angle_beta   59.673
_cell_angle_gamma   80.350
_symmetry_Int_Tables_number   1
_cell_volume   216.964
_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  0.064  0.752  0.662  1.0
  Li  Li1  1  0.271  0.249  0.671  1.0
  Li  Li2  1  0.735  0.753  0.359  1.0
  Li  Li3  1  0.916  0.245  0.354  1.0
  Fe  Fe4  1  0.006  1.000  0.995  1.0
  Fe  Fe5  1  0.499  0.500  0.003  1.0
  Co  Co6  1  0.165  0.500  0.669  1.0
  Co  Co7  1  0.667  0.001  0.661  1.0
  Co  Co8  1  0.342  0.999  0.320  1.0
  Co  Co9  1  0.833  0.500  0.334  1.0
  O  O10  1  0.108  0.604  0.009  1.0
  O  O11  1  0.309  0.108  0.976  1.0
  O  O12  1  0.702  0.896  0.981  1.0
  O  O13  1  0.883  0.396  0.005  1.0
  O  O14  1  0.009  0.891  0.353  1.0
  O  O15  1  0.180  0.396  0.349  1.0
  O  O16  1  0.468  0.604  0.353  1.0
  O  O17  1  0.633  0.108  0.357  1.0
  O  O18  1  0.966  0.103  0.645  1.0
  O  O19  1  0.391  0.894  0.650  1.0
  O  O20  1  0.539  0.397  0.646  1.0
  O  O21  1  0.812  0.604  0.649  1.0
[/CIF]
.
The crystal structure 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 to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-55°. In the second Li site, Li(2) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and  a faceface with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-51°. In the fourth Li site, Li(4) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-52°. 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  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. 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 corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are four inequivalent Co sites. In the first Co site, Co(1) 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 corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, edges with three equivalent Co(4)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. In the second Co site, Co(2) 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  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Co site, Co(3) 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  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the fourth Co site, Co(4) 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 corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Fe(2), one Co(1), and one Co(4) atom. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Fe(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2FeCo2 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Fe(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2FeCo2 square pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Fe(2), one Co(1), and one Co(4) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Fe(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2FeCo2 square pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Fe(2), one Co(1), and one Co(4) 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(1), and one Co(4) 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(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2FeCo2 square pyramids. In the ninth O site, O(9) is bonded to one Li(2), one Li(4), one Fe(1), one Co(2), and one Co(3) atom to form a mixture of 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(2), and one Co(3) atom to form a mixture of 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(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Fe(2), one Co(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeCo2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li2Fe(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.020
_cell_length_b   10.101
_cell_length_c   5.028
_cell_angle_alpha   85.619
_cell_angle_beta   59.673
_cell_angle_gamma   80.350
_symmetry_Int_Tables_number   1
_cell_volume   216.964
_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  0.064  0.752  0.662  1.0
  Li  Li1  1  0.271  0.249  0.671  1.0
  Li  Li2  1  0.735  0.753  0.359  1.0
  Li  Li3  1  0.916  0.245  0.354  1.0
  Fe  Fe4  1  0.006  1.000  0.995  1.0
  Fe  Fe5  1  0.499  0.500  0.003  1.0
  Co  Co6  1  0.165  0.500  0.669  1.0
  Co  Co7  1  0.667  0.001  0.661  1.0
  Co  Co8  1  0.342  0.999  0.320  1.0
  Co  Co9  1  0.833  0.500  0.334  1.0
  O  O10  1  0.108  0.604  0.009  1.0
  O  O11  1  0.309  0.108  0.976  1.0
  O  O12  1  0.702  0.896  0.981  1.0
  O  O13  1  0.883  0.396  0.005  1.0
  O  O14  1  0.009  0.891  0.353  1.0
  O  O15  1  0.180  0.396  0.349  1.0
  O  O16  1  0.468  0.604  0.353  1.0
  O  O17  1  0.633  0.108  0.357  1.0
  O  O18  1  0.966  0.103  0.645  1.0
  O  O19  1  0.391  0.894  0.650  1.0
  O  O20  1  0.539  0.397  0.646  1.0
  O  O21  1  0.812  0.604  0.649  1.0
[/CIF]
.