The structure described by Na3CoO3 crystallizes in the cubic I-43m space group. Na(1) is bonded to five equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing NaO5 square pyramids. Co(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded to five equivalent Na(1) and one Co(1) atom to form a mixture of distorted corner and edge-sharing ONa5Co octahedra. The corner-sharing octahedral tilt angles are 17°. is represented by the CIF file [CIF]
data_Na3CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.306
_cell_length_b   8.306
_cell_length_c   8.306
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   441.169
_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
  Na  Na0  1  0.512  0.000  0.275  1.0
  Na  Na1  1  0.512  0.275  0.000  1.0
  Na  Na2  1  0.763  0.488  0.488  1.0
  Na  Na3  1  0.725  0.237  0.725  1.0
  Na  Na4  1  0.275  0.512  0.000  1.0
  Na  Na5  1  0.725  0.725  0.237  1.0
  Na  Na6  1  0.275  0.000  0.512  1.0
  Na  Na7  1  0.488  0.488  0.763  1.0
  Na  Na8  1  0.488  0.763  0.488  1.0
  Na  Na9  1  0.000  0.275  0.512  1.0
  Na  Na10  1  0.000  0.512  0.275  1.0
  Na  Na11  1  0.237  0.725  0.725  1.0
  Co  Co12  1  0.637  0.000  0.000  1.0
  Co  Co13  1  0.363  0.363  0.363  1.0
  Co  Co14  1  0.000  0.637  0.000  1.0
  Co  Co15  1  0.000  0.000  0.637  1.0
  O  O16  1  0.752  0.225  0.225  1.0
  O  O17  1  0.775  0.000  0.527  1.0
  O  O18  1  0.775  0.527  0.000  1.0
  O  O19  1  0.473  0.248  0.473  1.0
  O  O20  1  0.473  0.473  0.248  1.0
  O  O21  1  0.527  0.775  0.000  1.0
  O  O22  1  0.527  0.000  0.775  1.0
  O  O23  1  0.248  0.473  0.473  1.0
  O  O24  1  0.225  0.752  0.225  1.0
  O  O25  1  0.225  0.225  0.752  1.0
  O  O26  1  0.000  0.775  0.527  1.0
  O  O27  1  0.000  0.527  0.775  1.0
[/CIF]
.
The structure described by Na3CoO3 crystallizes in the cubic I-43m space group. Na(1) is bonded to five equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing NaO5 square pyramids. Co(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded to five equivalent Na(1) and one Co(1) atom to form a mixture of distorted corner and edge-sharing ONa5Co octahedra. The corner-sharing octahedral tilt angles are 17°. is represented by the CIF file [CIF]
data_Na3CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.306
_cell_length_b   8.306
_cell_length_c   8.306
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   441.169
_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
  Na  Na0  1  0.512  0.000  0.275  1.0
  Na  Na1  1  0.512  0.275  0.000  1.0
  Na  Na2  1  0.763  0.488  0.488  1.0
  Na  Na3  1  0.725  0.237  0.725  1.0
  Na  Na4  1  0.275  0.512  0.000  1.0
  Na  Na5  1  0.725  0.725  0.237  1.0
  Na  Na6  1  0.275  0.000  0.512  1.0
  Na  Na7  1  0.488  0.488  0.763  1.0
  Na  Na8  1  0.488  0.763  0.488  1.0
  Na  Na9  1  0.000  0.275  0.512  1.0
  Na  Na10  1  0.000  0.512  0.275  1.0
  Na  Na11  1  0.237  0.725  0.725  1.0
  Co  Co12  1  0.637  0.000  0.000  1.0
  Co  Co13  1  0.363  0.363  0.363  1.0
  Co  Co14  1  0.000  0.637  0.000  1.0
  Co  Co15  1  0.000  0.000  0.637  1.0
  O  O16  1  0.752  0.225  0.225  1.0
  O  O17  1  0.775  0.000  0.527  1.0
  O  O18  1  0.775  0.527  0.000  1.0
  O  O19  1  0.473  0.248  0.473  1.0
  O  O20  1  0.473  0.473  0.248  1.0
  O  O21  1  0.527  0.775  0.000  1.0
  O  O22  1  0.527  0.000  0.775  1.0
  O  O23  1  0.248  0.473  0.473  1.0
  O  O24  1  0.225  0.752  0.225  1.0
  O  O25  1  0.225  0.225  0.752  1.0
  O  O26  1  0.000  0.775  0.527  1.0
  O  O27  1  0.000  0.527  0.775  1.0
[/CIF]
.