The compound described by NiO2 is Rutile-like structured and crystallizes in the tetragonal I4/m space group. Ni(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_NiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.897
_cell_length_b   6.897
_cell_length_c   6.897
_cell_angle_alpha   92.435
_cell_angle_beta   92.435
_cell_angle_gamma   156.210
_symmetry_Int_Tables_number   1
_cell_volume   129.496
_cell_formula_units_Z   4
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
  Ni  Ni0  1  0.833  0.350  0.183  1.0
  Ni  Ni1  1  0.650  0.833  0.482  1.0
  Ni  Ni2  1  0.350  0.167  0.518  1.0
  Ni  Ni3  1  0.167  0.650  0.817  1.0
  O  O4  1  0.544  0.177  0.721  1.0
  O  O5  1  0.823  0.544  0.368  1.0
  O  O6  1  0.177  0.456  0.632  1.0
  O  O7  1  0.456  0.823  0.279  1.0
  O  O8  1  0.203  0.848  0.051  1.0
  O  O9  1  0.152  0.203  0.356  1.0
  O  O10  1  0.797  0.152  0.949  1.0
  O  O11  1  0.848  0.797  0.644  1.0
[/CIF]
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The compound described by NiO2 is Rutile-like structured and crystallizes in the tetragonal I4/m space group. Ni(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_NiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.897
_cell_length_b   6.897
_cell_length_c   6.897
_cell_angle_alpha   92.435
_cell_angle_beta   92.435
_cell_angle_gamma   156.210
_symmetry_Int_Tables_number   1
_cell_volume   129.496
_cell_formula_units_Z   4
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
  Ni  Ni0  1  0.833  0.350  0.183  1.0
  Ni  Ni1  1  0.650  0.833  0.482  1.0
  Ni  Ni2  1  0.350  0.167  0.518  1.0
  Ni  Ni3  1  0.167  0.650  0.817  1.0
  O  O4  1  0.544  0.177  0.721  1.0
  O  O5  1  0.823  0.544  0.368  1.0
  O  O6  1  0.177  0.456  0.632  1.0
  O  O7  1  0.456  0.823  0.279  1.0
  O  O8  1  0.203  0.848  0.051  1.0
  O  O9  1  0.152  0.203  0.356  1.0
  O  O10  1  0.797  0.152  0.949  1.0
  O  O11  1  0.848  0.797  0.644  1.0
[/CIF]
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