The material structure described by LiCoMnO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(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)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OLiMnCo2 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.890
_cell_length_b   5.890
_cell_length_c   5.890
_cell_angle_alpha   121.784
_cell_angle_beta   121.189
_cell_angle_gamma   87.445
_symmetry_Int_Tables_number   1
_cell_volume   141.075
_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  0.885  0.135  0.750  1.0
  Li  Li1  1  0.115  0.865  0.250  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.257  0.729  0.528  1.0
  O  O7  1  0.701  0.729  0.972  1.0
  O  O8  1  0.250  0.278  0.527  1.0
  O  O9  1  0.250  0.723  0.973  1.0
  O  O10  1  0.750  0.277  0.027  1.0
  O  O11  1  0.750  0.722  0.473  1.0
  O  O12  1  0.299  0.271  0.028  1.0
  O  O13  1  0.743  0.271  0.472  1.0
[/CIF]
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The material structure described by LiCoMnO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(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)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OLiMnCo2 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.890
_cell_length_b   5.890
_cell_length_c   5.890
_cell_angle_alpha   121.784
_cell_angle_beta   121.189
_cell_angle_gamma   87.445
_symmetry_Int_Tables_number   1
_cell_volume   141.075
_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  0.885  0.135  0.750  1.0
  Li  Li1  1  0.115  0.865  0.250  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.257  0.729  0.528  1.0
  O  O7  1  0.701  0.729  0.972  1.0
  O  O8  1  0.250  0.278  0.527  1.0
  O  O9  1  0.250  0.723  0.973  1.0
  O  O10  1  0.750  0.277  0.027  1.0
  O  O11  1  0.750  0.722  0.473  1.0
  O  O12  1  0.299  0.271  0.028  1.0
  O  O13  1  0.743  0.271  0.472  1.0
[/CIF]
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