The structure described by LiCoNiO4 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 Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing OLi2CoNi2 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Co(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_LiCoNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.793
_cell_length_b   5.793
_cell_length_c   5.793
_cell_angle_alpha   121.804
_cell_angle_beta   120.607
_cell_angle_gamma   87.927
_symmetry_Int_Tables_number   1
_cell_volume   134.851
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.227  0.205  0.478  1.0
  O  O7  1  0.218  0.251  0.966  1.0
  O  O8  1  0.773  0.251  0.978  1.0
  O  O9  1  0.785  0.251  0.534  1.0
  O  O10  1  0.215  0.749  0.466  1.0
  O  O11  1  0.227  0.749  0.022  1.0
  O  O12  1  0.782  0.749  0.034  1.0
  O  O13  1  0.773  0.795  0.522  1.0
[/CIF]
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The structure described by LiCoNiO4 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 Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing OLi2CoNi2 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Co(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_LiCoNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.793
_cell_length_b   5.793
_cell_length_c   5.793
_cell_angle_alpha   121.804
_cell_angle_beta   120.607
_cell_angle_gamma   87.927
_symmetry_Int_Tables_number   1
_cell_volume   134.851
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.227  0.205  0.478  1.0
  O  O7  1  0.218  0.251  0.966  1.0
  O  O8  1  0.773  0.251  0.978  1.0
  O  O9  1  0.785  0.251  0.534  1.0
  O  O10  1  0.215  0.749  0.466  1.0
  O  O11  1  0.227  0.749  0.022  1.0
  O  O12  1  0.782  0.749  0.034  1.0
  O  O13  1  0.773  0.795  0.522  1.0
[/CIF]
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