The compound described by NiCuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. Cu(1) is bonded to six equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. O(1) is bonded to three equivalent Ni(1) and three equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OCu3Ni3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_CuNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.178
_cell_length_c   5.178
_cell_angle_alpha   33.516
_cell_angle_beta   33.516
_cell_angle_gamma   33.516
_symmetry_Int_Tables_number   1
_cell_volume   37.698
_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  0.500  0.500  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.253  0.253  0.253  1.0
  O  O3  1  0.747  0.747  0.747  1.0
[/CIF]
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The compound described by NiCuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. Cu(1) is bonded to six equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. O(1) is bonded to three equivalent Ni(1) and three equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OCu3Ni3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_CuNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.178
_cell_length_c   5.178
_cell_angle_alpha   33.516
_cell_angle_beta   33.516
_cell_angle_gamma   33.516
_symmetry_Int_Tables_number   1
_cell_volume   37.698
_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  0.500  0.500  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.253  0.253  0.253  1.0
  O  O3  1  0.747  0.747  0.747  1.0
[/CIF]
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