The crystal structure described by LiMnCo3O8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Co(2) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_LiMnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.670
_cell_length_b   5.680
_cell_length_c   5.979
_cell_angle_alpha   118.301
_cell_angle_beta   90.000
_cell_angle_gamma   119.942
_symmetry_Int_Tables_number   1
_cell_volume   139.668
_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
  Co  Co0  1  0.000  0.500  0.000  1.0
  Co  Co1  1  0.500  1.000  0.000  1.0
  Co  Co2  1  0.500  0.500  1.000  1.0
  Li  Li3  1  0.500  1.000  0.500  1.0
  Mn  Mn4  1  1.000  1.000  1.000  1.0
  O  O5  1  0.269  0.538  0.813  1.0
  O  O6  1  0.731  0.462  0.187  1.0
  O  O7  1  0.232  0.959  0.197  1.0
  O  O8  1  0.236  0.472  0.199  1.0
  O  O9  1  0.727  0.959  0.197  1.0
  O  O10  1  0.273  0.041  0.803  1.0
  O  O11  1  0.764  0.528  0.801  1.0
  O  O12  1  0.768  0.041  0.803  1.0
[/CIF]
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The crystal structure described by LiMnCo3O8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Co(2) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_LiMnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.670
_cell_length_b   5.680
_cell_length_c   5.979
_cell_angle_alpha   118.301
_cell_angle_beta   90.000
_cell_angle_gamma   119.942
_symmetry_Int_Tables_number   1
_cell_volume   139.668
_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
  Co  Co0  1  0.000  0.500  0.000  1.0
  Co  Co1  1  0.500  1.000  0.000  1.0
  Co  Co2  1  0.500  0.500  1.000  1.0
  Li  Li3  1  0.500  1.000  0.500  1.0
  Mn  Mn4  1  1.000  1.000  1.000  1.0
  O  O5  1  0.269  0.538  0.813  1.0
  O  O6  1  0.731  0.462  0.187  1.0
  O  O7  1  0.232  0.959  0.197  1.0
  O  O8  1  0.236  0.472  0.199  1.0
  O  O9  1  0.727  0.959  0.197  1.0
  O  O10  1  0.273  0.041  0.803  1.0
  O  O11  1  0.764  0.528  0.801  1.0
  O  O12  1  0.768  0.041  0.803  1.0
[/CIF]
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