The crystal structure described by NiCoO2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and edges with eight equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. 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 Ni(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with eight equivalent Co(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Co(1) and four equivalent Ni(1) atoms to form OCo2Ni4 octahedra that share corners with six equivalent O(1)Co2Ni4 octahedra, edges with four equivalent O(1)Co2Ni4 octahedra, and edges with eight equivalent O(2)Co4Ni2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Co(1) and two equivalent Ni(1) atoms to form OCo4Ni2 octahedra that share corners with six equivalent O(2)Co4Ni2 octahedra, edges with four equivalent O(2)Co4Ni2 octahedra, and edges with eight equivalent O(1)Co2Ni4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CoNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.014
_cell_length_b   3.014
_cell_length_c   4.222
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   38.365
_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  0.500  0.500  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.000  0.000  0.500  1.0
[/CIF]
.
The crystal structure described by NiCoO2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and edges with eight equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. 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 Ni(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with eight equivalent Co(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Co(1) and four equivalent Ni(1) atoms to form OCo2Ni4 octahedra that share corners with six equivalent O(1)Co2Ni4 octahedra, edges with four equivalent O(1)Co2Ni4 octahedra, and edges with eight equivalent O(2)Co4Ni2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Co(1) and two equivalent Ni(1) atoms to form OCo4Ni2 octahedra that share corners with six equivalent O(2)Co4Ni2 octahedra, edges with four equivalent O(2)Co4Ni2 octahedra, and edges with eight equivalent O(1)Co2Ni4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CoNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.014
_cell_length_b   3.014
_cell_length_c   4.222
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   38.365
_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  0.500  0.500  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.000  0.000  0.500  1.0
[/CIF]
.