The material described by NaCoO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent O(1) atoms to form distorted NaO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Na(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. O(1) is bonded to three equivalent Na(1) and three equivalent Co(1) atoms to form a mixture of edge and corner-sharing ONa3Co3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.409
_cell_length_b   5.409
_cell_length_c   5.409
_cell_angle_alpha   30.895
_cell_angle_beta   30.895
_cell_angle_gamma   30.895
_symmetry_Int_Tables_number   1
_cell_volume   37.004
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.231  0.231  0.231  1.0
  O  O3  1  0.769  0.769  0.769  1.0
[/CIF]
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The material described by NaCoO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent O(1) atoms to form distorted NaO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Na(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. O(1) is bonded to three equivalent Na(1) and three equivalent Co(1) atoms to form a mixture of edge and corner-sharing ONa3Co3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.409
_cell_length_b   5.409
_cell_length_c   5.409
_cell_angle_alpha   30.895
_cell_angle_beta   30.895
_cell_angle_gamma   30.895
_symmetry_Int_Tables_number   1
_cell_volume   37.004
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.231  0.231  0.231  1.0
  O  O3  1  0.769  0.769  0.769  1.0
[/CIF]
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