The material structure described by Na3CoO3 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. Co(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Co(1) atom. is represented by the CIF file [CIF]
data_Na3CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.516
_cell_length_b   9.062
_cell_length_c   9.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   377.737
_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  0.000  0.130  0.627  1.0
  Na  Na1  1  0.500  0.126  0.370  1.0
  Na  Na2  1  0.500  0.144  0.855  1.0
  Na  Na3  1  0.000  0.356  0.355  1.0
  Na  Na4  1  0.000  0.374  0.870  1.0
  Na  Na5  1  0.500  0.370  0.127  1.0
  Na  Na6  1  0.500  0.630  0.873  1.0
  Na  Na7  1  0.000  0.626  0.130  1.0
  Na  Na8  1  0.000  0.644  0.645  1.0
  Na  Na9  1  0.500  0.856  0.145  1.0
  Na  Na10  1  0.500  0.874  0.630  1.0
  Na  Na11  1  0.000  0.870  0.373  1.0
  Co  Co12  1  0.000  0.114  0.114  1.0
  Co  Co13  1  0.500  0.386  0.614  1.0
  Co  Co14  1  0.500  0.614  0.386  1.0
  Co  Co15  1  0.000  0.886  0.886  1.0
  O  O16  1  0.000  0.092  0.903  1.0
  O  O17  1  0.000  0.106  0.312  1.0
  O  O18  1  0.500  0.191  0.606  1.0
  O  O19  1  0.000  0.309  0.106  1.0
  O  O20  1  0.500  0.394  0.812  1.0
  O  O21  1  0.500  0.408  0.403  1.0
  O  O22  1  0.500  0.592  0.597  1.0
  O  O23  1  0.500  0.606  0.188  1.0
  O  O24  1  0.000  0.691  0.894  1.0
  O  O25  1  0.500  0.809  0.394  1.0
  O  O26  1  0.000  0.894  0.688  1.0
  O  O27  1  0.000  0.908  0.097  1.0
[/CIF]
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The material structure described by Na3CoO3 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. Co(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Co(1) atom. is represented by the CIF file [CIF]
data_Na3CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.516
_cell_length_b   9.062
_cell_length_c   9.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   377.737
_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  0.000  0.130  0.627  1.0
  Na  Na1  1  0.500  0.126  0.370  1.0
  Na  Na2  1  0.500  0.144  0.855  1.0
  Na  Na3  1  0.000  0.356  0.355  1.0
  Na  Na4  1  0.000  0.374  0.870  1.0
  Na  Na5  1  0.500  0.370  0.127  1.0
  Na  Na6  1  0.500  0.630  0.873  1.0
  Na  Na7  1  0.000  0.626  0.130  1.0
  Na  Na8  1  0.000  0.644  0.645  1.0
  Na  Na9  1  0.500  0.856  0.145  1.0
  Na  Na10  1  0.500  0.874  0.630  1.0
  Na  Na11  1  0.000  0.870  0.373  1.0
  Co  Co12  1  0.000  0.114  0.114  1.0
  Co  Co13  1  0.500  0.386  0.614  1.0
  Co  Co14  1  0.500  0.614  0.386  1.0
  Co  Co15  1  0.000  0.886  0.886  1.0
  O  O16  1  0.000  0.092  0.903  1.0
  O  O17  1  0.000  0.106  0.312  1.0
  O  O18  1  0.500  0.191  0.606  1.0
  O  O19  1  0.000  0.309  0.106  1.0
  O  O20  1  0.500  0.394  0.812  1.0
  O  O21  1  0.500  0.408  0.403  1.0
  O  O22  1  0.500  0.592  0.597  1.0
  O  O23  1  0.500  0.606  0.188  1.0
  O  O24  1  0.000  0.691  0.894  1.0
  O  O25  1  0.500  0.809  0.394  1.0
  O  O26  1  0.000  0.894  0.688  1.0
  O  O27  1  0.000  0.908  0.097  1.0
[/CIF]
.