The material structure described by LiCoMnO4 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_LiMnCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.889
_cell_length_b   5.889
_cell_length_c   5.889
_cell_angle_alpha   120.917
_cell_angle_beta   119.650
_cell_angle_gamma   89.513
_symmetry_Int_Tables_number   1
_cell_volume   143.764
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.000  0.000  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.269  0.785  0.016  1.0
  O  O7  1  0.288  0.754  0.535  1.0
  O  O8  1  0.269  0.253  0.484  1.0
  O  O9  1  0.719  0.754  0.965  1.0
  O  O10  1  0.281  0.246  0.035  1.0
  O  O11  1  0.731  0.747  0.516  1.0
  O  O12  1  0.712  0.246  0.465  1.0
  O  O13  1  0.731  0.215  0.984  1.0
[/CIF]
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The material structure described by LiCoMnO4 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_LiMnCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.889
_cell_length_b   5.889
_cell_length_c   5.889
_cell_angle_alpha   120.917
_cell_angle_beta   119.650
_cell_angle_gamma   89.513
_symmetry_Int_Tables_number   1
_cell_volume   143.764
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.000  0.000  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.269  0.785  0.016  1.0
  O  O7  1  0.288  0.754  0.535  1.0
  O  O8  1  0.269  0.253  0.484  1.0
  O  O9  1  0.719  0.754  0.965  1.0
  O  O10  1  0.281  0.246  0.035  1.0
  O  O11  1  0.731  0.747  0.516  1.0
  O  O12  1  0.712  0.246  0.465  1.0
  O  O13  1  0.731  0.215  0.984  1.0
[/CIF]
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