The crystal structure described by Li2Mn(CoO3)2 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share edges with six equivalent Co(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with three equivalent Mn(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing OLi2MnCo2 square pyramids. is represented by the CIF file [CIF]
data_Li2Mn(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.085
_cell_length_b   5.085
_cell_length_c   10.076
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.179
_symmetry_Int_Tables_number   1
_cell_volume   227.436
_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  0.147  0.647  0.750  1.0
  Li  Li1  1  0.353  0.853  0.250  1.0
  Li  Li2  1  0.647  0.147  0.750  1.0
  Li  Li3  1  0.853  0.353  0.250  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.337  0.663  0.000  1.0
  Co  Co7  1  0.837  0.163  0.500  1.0
  Co  Co8  1  0.163  0.837  0.500  1.0
  Co  Co9  1  0.663  0.337  0.000  1.0
  O  O10  1  0.179  0.179  0.598  1.0
  O  O11  1  0.321  0.321  0.098  1.0
  O  O12  1  0.679  0.679  0.902  1.0
  O  O13  1  0.984  0.316  0.893  1.0
  O  O14  1  0.821  0.821  0.402  1.0
  O  O15  1  0.184  0.516  0.393  1.0
  O  O16  1  0.484  0.816  0.607  1.0
  O  O17  1  0.684  0.016  0.107  1.0
  O  O18  1  0.016  0.684  0.107  1.0
  O  O19  1  0.316  0.984  0.893  1.0
  O  O20  1  0.516  0.184  0.393  1.0
  O  O21  1  0.816  0.484  0.607  1.0
[/CIF]
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The crystal structure described by Li2Mn(CoO3)2 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share edges with six equivalent Co(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with three equivalent Mn(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing OLi2MnCo2 square pyramids. is represented by the CIF file [CIF]
data_Li2Mn(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.085
_cell_length_b   5.085
_cell_length_c   10.076
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.179
_symmetry_Int_Tables_number   1
_cell_volume   227.436
_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  0.147  0.647  0.750  1.0
  Li  Li1  1  0.353  0.853  0.250  1.0
  Li  Li2  1  0.647  0.147  0.750  1.0
  Li  Li3  1  0.853  0.353  0.250  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.337  0.663  0.000  1.0
  Co  Co7  1  0.837  0.163  0.500  1.0
  Co  Co8  1  0.163  0.837  0.500  1.0
  Co  Co9  1  0.663  0.337  0.000  1.0
  O  O10  1  0.179  0.179  0.598  1.0
  O  O11  1  0.321  0.321  0.098  1.0
  O  O12  1  0.679  0.679  0.902  1.0
  O  O13  1  0.984  0.316  0.893  1.0
  O  O14  1  0.821  0.821  0.402  1.0
  O  O15  1  0.184  0.516  0.393  1.0
  O  O16  1  0.484  0.816  0.607  1.0
  O  O17  1  0.684  0.016  0.107  1.0
  O  O18  1  0.016  0.684  0.107  1.0
  O  O19  1  0.316  0.984  0.893  1.0
  O  O20  1  0.516  0.184  0.393  1.0
  O  O21  1  0.816  0.484  0.607  1.0
[/CIF]
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