The 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 in a 4-coordinate geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate 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 4-coordinate geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate 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(4), 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(5), 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(4), 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(5), 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(5), 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(4), 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 3-coordinate geometry to one Fe(2), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one Co(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one Co(4) atom. In the fourth O site, O(4) 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 edge and corner-sharing OLi2FeCo2 trigonal bipyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(2), one Co(2), and one Co(3) atom. 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 edge and corner-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 edge and corner-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 edge and corner-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 edge and corner-sharing OLi2FeCo2 trigonal bipyramids. 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 edge and corner-sharing OLi2FeCo2 trigonal bipyramids. 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 edge and corner-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(2), and one Co(3) atom to form a mixture of distorted edge and corner-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   5.084
_cell_length_b   5.234
_cell_length_c   10.224
_cell_angle_alpha   90.013
_cell_angle_beta   89.116
_cell_angle_gamma   59.032
_symmetry_Int_Tables_number   1
_cell_volume   233.252
_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  0.448  0.153  0.744  1.0
  Li  Li1  1  0.458  0.392  0.255  1.0
  Li  Li2  1  0.459  0.650  0.755  1.0
  Li  Li3  1  0.452  0.897  0.244  1.0
  Fe  Fe4  1  0.014  0.990  0.999  1.0
  Fe  Fe5  1  0.011  0.497  0.499  1.0
  Co  Co6  1  0.340  0.326  0.001  1.0
  Co  Co7  1  0.337  0.835  0.501  1.0
  Co  Co8  1  0.675  0.159  0.499  1.0
  Co  Co9  1  0.678  0.664  0.999  1.0
  O  O10  1  0.037  0.138  0.597  1.0
  O  O11  1  0.041  0.324  0.097  1.0
  O  O12  1  0.022  0.643  0.905  1.0
  O  O13  1  0.352  0.973  0.888  1.0
  O  O14  1  0.019  0.836  0.404  1.0
  O  O15  1  0.349  0.176  0.388  1.0
  O  O16  1  0.358  0.466  0.610  1.0
  O  O17  1  0.362  0.674  0.110  1.0
  O  O18  1  0.653  0.022  0.105  1.0
  O  O19  1  0.645  0.319  0.896  1.0
  O  O20  1  0.642  0.538  0.396  1.0
  O  O21  1  0.649  0.827  0.605  1.0
[/CIF]
.
The 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 in a 4-coordinate geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate 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 4-coordinate geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate 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(4), 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(5), 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(4), 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(5), 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(5), 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(4), 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 3-coordinate geometry to one Fe(2), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one Co(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one Co(4) atom. In the fourth O site, O(4) 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 edge and corner-sharing OLi2FeCo2 trigonal bipyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(2), one Co(2), and one Co(3) atom. 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 edge and corner-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 edge and corner-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 edge and corner-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 edge and corner-sharing OLi2FeCo2 trigonal bipyramids. 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 edge and corner-sharing OLi2FeCo2 trigonal bipyramids. 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 edge and corner-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(2), and one Co(3) atom to form a mixture of distorted edge and corner-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   5.084
_cell_length_b   5.234
_cell_length_c   10.224
_cell_angle_alpha   90.013
_cell_angle_beta   89.116
_cell_angle_gamma   59.032
_symmetry_Int_Tables_number   1
_cell_volume   233.252
_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  0.448  0.153  0.744  1.0
  Li  Li1  1  0.458  0.392  0.255  1.0
  Li  Li2  1  0.459  0.650  0.755  1.0
  Li  Li3  1  0.452  0.897  0.244  1.0
  Fe  Fe4  1  0.014  0.990  0.999  1.0
  Fe  Fe5  1  0.011  0.497  0.499  1.0
  Co  Co6  1  0.340  0.326  0.001  1.0
  Co  Co7  1  0.337  0.835  0.501  1.0
  Co  Co8  1  0.675  0.159  0.499  1.0
  Co  Co9  1  0.678  0.664  0.999  1.0
  O  O10  1  0.037  0.138  0.597  1.0
  O  O11  1  0.041  0.324  0.097  1.0
  O  O12  1  0.022  0.643  0.905  1.0
  O  O13  1  0.352  0.973  0.888  1.0
  O  O14  1  0.019  0.836  0.404  1.0
  O  O15  1  0.349  0.176  0.388  1.0
  O  O16  1  0.358  0.466  0.610  1.0
  O  O17  1  0.362  0.674  0.110  1.0
  O  O18  1  0.653  0.022  0.105  1.0
  O  O19  1  0.645  0.319  0.896  1.0
  O  O20  1  0.642  0.538  0.396  1.0
  O  O21  1  0.649  0.827  0.605  1.0
[/CIF]
.