The material structure described by NaNiO2 is Caswellsilverite-like structured and crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to six equivalent O(1) atoms to form distorted NaO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Na(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. O(1) is bonded to three equivalent Na(1) and three equivalent Ni(1) atoms to form a mixture of distorted edge and corner-sharing ONa3Ni3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NaNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.001
_cell_length_b   5.007
_cell_length_c   5.402
_cell_angle_alpha   73.517
_cell_angle_beta   89.995
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   77.841
_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
  Na  Na0  1  1.000  0.500  0.500  1.0
  Na  Na1  1  0.500  1.000  0.500  1.0
  Ni  Ni2  1  0.000  0.000  1.000  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.044  0.262  0.194  1.0
  O  O5  1  0.456  0.762  0.194  1.0
  O  O6  1  0.956  0.738  0.806  1.0
  O  O7  1  0.544  0.238  0.806  1.0
[/CIF]
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The material structure described by NaNiO2 is Caswellsilverite-like structured and crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to six equivalent O(1) atoms to form distorted NaO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Na(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. O(1) is bonded to three equivalent Na(1) and three equivalent Ni(1) atoms to form a mixture of distorted edge and corner-sharing ONa3Ni3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NaNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.001
_cell_length_b   5.007
_cell_length_c   5.402
_cell_angle_alpha   73.517
_cell_angle_beta   89.995
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   77.841
_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
  Na  Na0  1  1.000  0.500  0.500  1.0
  Na  Na1  1  0.500  1.000  0.500  1.0
  Ni  Ni2  1  0.000  0.000  1.000  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.044  0.262  0.194  1.0
  O  O5  1  0.456  0.762  0.194  1.0
  O  O6  1  0.956  0.738  0.806  1.0
  O  O7  1  0.544  0.238  0.806  1.0
[/CIF]
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