The crystal structure described by NiCuO2 crystallizes in the monoclinic C2/m space group. Ni(1) is bonded to six equivalent O(1) atoms to form edge-sharing NiO6 octahedra. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to three equivalent Ni(1) and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing OCu2Ni3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.097
_cell_length_b   3.097
_cell_length_c   5.717
_cell_angle_alpha   64.581
_cell_angle_beta   115.419
_cell_angle_gamma   124.912
_symmetry_Int_Tables_number   1
_cell_volume   39.360
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.302  0.698  0.731  1.0
  O  O3  1  0.698  0.302  0.269  1.0
[/CIF]
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The crystal structure described by NiCuO2 crystallizes in the monoclinic C2/m space group. Ni(1) is bonded to six equivalent O(1) atoms to form edge-sharing NiO6 octahedra. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to three equivalent Ni(1) and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing OCu2Ni3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.097
_cell_length_b   3.097
_cell_length_c   5.717
_cell_angle_alpha   64.581
_cell_angle_beta   115.419
_cell_angle_gamma   124.912
_symmetry_Int_Tables_number   1
_cell_volume   39.360
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.302  0.698  0.731  1.0
  O  O3  1  0.698  0.302  0.269  1.0
[/CIF]
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