The material described by Cu(NiO2)2 is Spinel structured and crystallizes in the cubic Fd-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)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. Cu(1) is bonded to four equivalent O(1) atoms to form CuO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. O(1) is bonded to three equivalent Ni(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OCuNi3 trigonal pyramids. is represented by the CIF file [CIF]
data_Cu(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.841
_cell_length_b   5.841
_cell_length_c   5.841
_cell_angle_alpha   60.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   140.899
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.250  0.500  0.250  1.0
  Ni  Ni2  1  0.625  0.250  0.125  1.0
  Ni  Ni3  1  0.625  0.250  0.625  1.0
  Ni  Ni4  1  0.625  0.750  0.625  1.0
  Ni  Ni5  1  0.125  0.750  0.625  1.0
  O  O6  1  0.847  0.231  0.384  1.0
  O  O7  1  0.384  0.231  0.384  1.0
  O  O8  1  0.866  0.269  0.866  1.0
  O  O9  1  0.866  0.731  0.403  1.0
  O  O10  1  0.403  0.269  0.866  1.0
  O  O11  1  0.866  0.731  0.866  1.0
  O  O12  1  0.384  0.769  0.384  1.0
  O  O13  1  0.384  0.769  0.847  1.0
[/CIF]
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The material described by Cu(NiO2)2 is Spinel structured and crystallizes in the cubic Fd-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)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. Cu(1) is bonded to four equivalent O(1) atoms to form CuO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. O(1) is bonded to three equivalent Ni(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OCuNi3 trigonal pyramids. is represented by the CIF file [CIF]
data_Cu(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.841
_cell_length_b   5.841
_cell_length_c   5.841
_cell_angle_alpha   60.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   140.899
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.250  0.500  0.250  1.0
  Ni  Ni2  1  0.625  0.250  0.125  1.0
  Ni  Ni3  1  0.625  0.250  0.625  1.0
  Ni  Ni4  1  0.625  0.750  0.625  1.0
  Ni  Ni5  1  0.125  0.750  0.625  1.0
  O  O6  1  0.847  0.231  0.384  1.0
  O  O7  1  0.384  0.231  0.384  1.0
  O  O8  1  0.866  0.269  0.866  1.0
  O  O9  1  0.866  0.731  0.403  1.0
  O  O10  1  0.403  0.269  0.866  1.0
  O  O11  1  0.866  0.731  0.866  1.0
  O  O12  1  0.384  0.769  0.384  1.0
  O  O13  1  0.384  0.769  0.847  1.0
[/CIF]
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