The structure described by NiO2 crystallizes in the orthorhombic Cmcm space group. Ni(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_NiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.864
_cell_length_b   4.864
_cell_length_c   9.170
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.236
_symmetry_Int_Tables_number   1
_cell_volume   120.598
_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  0.134  0.866  0.071  1.0
  Ni  Ni1  1  0.866  0.134  0.929  1.0
  Ni  Ni2  1  0.134  0.866  0.429  1.0
  Ni  Ni3  1  0.866  0.134  0.571  1.0
  O  O4  1  0.764  0.236  0.389  1.0
  O  O5  1  0.236  0.764  0.611  1.0
  O  O6  1  0.236  0.764  0.889  1.0
  O  O7  1  0.764  0.236  0.111  1.0
  O  O8  1  0.045  0.955  0.250  1.0
  O  O9  1  0.955  0.045  0.750  1.0
  O  O10  1  0.500  0.500  0.000  1.0
  O  O11  1  0.500  0.500  0.500  1.0
[/CIF]
.
The structure described by NiO2 crystallizes in the orthorhombic Cmcm space group. Ni(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_NiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.864
_cell_length_b   4.864
_cell_length_c   9.170
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.236
_symmetry_Int_Tables_number   1
_cell_volume   120.598
_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  0.134  0.866  0.071  1.0
  Ni  Ni1  1  0.866  0.134  0.929  1.0
  Ni  Ni2  1  0.134  0.866  0.429  1.0
  Ni  Ni3  1  0.866  0.134  0.571  1.0
  O  O4  1  0.764  0.236  0.389  1.0
  O  O5  1  0.236  0.764  0.611  1.0
  O  O6  1  0.236  0.764  0.889  1.0
  O  O7  1  0.764  0.236  0.111  1.0
  O  O8  1  0.045  0.955  0.250  1.0
  O  O9  1  0.955  0.045  0.750  1.0
  O  O10  1  0.500  0.500  0.000  1.0
  O  O11  1  0.500  0.500  0.500  1.0
[/CIF]
.