The crystal structure described by Na3CoO3 crystallizes in the cubic P2_13 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal non-coplanar geometry to six equivalent O(1) atoms. In the third Na site, Na(3) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. Co(1) is bonded in a distorted trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), two equivalent Na(2), and one Co(1) atom. is represented by the CIF card [CIF]
data_Na3CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.517
_cell_length_b   7.517
_cell_length_c   7.517
_cell_angle_alpha   90.003
_cell_angle_beta   89.998
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   424.734
_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  0.033  0.033  0.033  1.0
  Na  Na1  1  0.212  0.288  0.712  1.0
  Na  Na2  1  0.233  0.733  0.767  1.0
  Na  Na3  1  0.267  0.267  0.267  1.0
  Na  Na4  1  0.288  0.712  0.212  1.0
  Na  Na5  1  0.467  0.967  0.533  1.0
  Na  Na6  1  0.533  0.467  0.967  1.0
  Na  Na7  1  0.712  0.212  0.288  1.0
  Na  Na8  1  0.733  0.767  0.233  1.0
  Na  Na9  1  0.767  0.233  0.733  1.0
  Na  Na10  1  0.788  0.788  0.788  1.0
  Na  Na11  1  0.967  0.533  0.467  1.0
  Co  Co12  1  0.978  0.022  0.522  1.0
  Co  Co13  1  0.522  0.978  0.022  1.0
  Co  Co14  1  0.478  0.478  0.478  1.0
  Co  Co15  1  0.022  0.522  0.978  1.0
  O  O16  1  0.001  0.224  0.401  1.0
  O  O17  1  0.099  0.999  0.724  1.0
  O  O18  1  0.224  0.401  0.001  1.0
  O  O19  1  0.276  0.599  0.501  1.0
  O  O20  1  0.401  0.001  0.224  1.0
  O  O21  1  0.499  0.776  0.901  1.0
  O  O22  1  0.501  0.276  0.599  1.0
  O  O23  1  0.599  0.501  0.276  1.0
  O  O24  1  0.724  0.099  0.999  1.0
  O  O25  1  0.776  0.901  0.499  1.0
  O  O26  1  0.901  0.499  0.776  1.0
  O  O27  1  0.999  0.724  0.099  1.0
[/CIF]
.
The crystal structure described by Na3CoO3 crystallizes in the cubic P2_13 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal non-coplanar geometry to six equivalent O(1) atoms. In the third Na site, Na(3) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. Co(1) is bonded in a distorted trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), two equivalent Na(2), and one Co(1) atom. is represented by the CIF card [CIF]
data_Na3CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.517
_cell_length_b   7.517
_cell_length_c   7.517
_cell_angle_alpha   90.003
_cell_angle_beta   89.998
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   424.734
_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  0.033  0.033  0.033  1.0
  Na  Na1  1  0.212  0.288  0.712  1.0
  Na  Na2  1  0.233  0.733  0.767  1.0
  Na  Na3  1  0.267  0.267  0.267  1.0
  Na  Na4  1  0.288  0.712  0.212  1.0
  Na  Na5  1  0.467  0.967  0.533  1.0
  Na  Na6  1  0.533  0.467  0.967  1.0
  Na  Na7  1  0.712  0.212  0.288  1.0
  Na  Na8  1  0.733  0.767  0.233  1.0
  Na  Na9  1  0.767  0.233  0.733  1.0
  Na  Na10  1  0.788  0.788  0.788  1.0
  Na  Na11  1  0.967  0.533  0.467  1.0
  Co  Co12  1  0.978  0.022  0.522  1.0
  Co  Co13  1  0.522  0.978  0.022  1.0
  Co  Co14  1  0.478  0.478  0.478  1.0
  Co  Co15  1  0.022  0.522  0.978  1.0
  O  O16  1  0.001  0.224  0.401  1.0
  O  O17  1  0.099  0.999  0.724  1.0
  O  O18  1  0.224  0.401  0.001  1.0
  O  O19  1  0.276  0.599  0.501  1.0
  O  O20  1  0.401  0.001  0.224  1.0
  O  O21  1  0.499  0.776  0.901  1.0
  O  O22  1  0.501  0.276  0.599  1.0
  O  O23  1  0.599  0.501  0.276  1.0
  O  O24  1  0.724  0.099  0.999  1.0
  O  O25  1  0.776  0.901  0.499  1.0
  O  O26  1  0.901  0.499  0.776  1.0
  O  O27  1  0.999  0.724  0.099  1.0
[/CIF]
.