The crystal structure described by Na3(CoO2)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Co(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted edge-sharing CoO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Na(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(2), three equivalent Na(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.639
_cell_length_b   8.604
_cell_length_c   10.092
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.705
_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  0.039  0.146  0.101  1.0
  Na  Na1  1  0.039  0.146  0.399  1.0
  Na  Na2  1  0.137  0.822  0.250  1.0
  Na  Na3  1  0.363  0.322  0.750  1.0
  Na  Na4  1  0.461  0.646  0.899  1.0
  Na  Na5  1  0.461  0.646  0.601  1.0
  Na  Na6  1  0.539  0.354  0.101  1.0
  Na  Na7  1  0.539  0.354  0.399  1.0
  Na  Na8  1  0.637  0.678  0.250  1.0
  Na  Na9  1  0.863  0.178  0.750  1.0
  Na  Na10  1  0.961  0.854  0.601  1.0
  Na  Na11  1  0.961  0.854  0.899  1.0
  Co  Co12  1  0.044  0.487  0.119  1.0
  Co  Co13  1  0.044  0.487  0.381  1.0
  Co  Co14  1  0.456  0.987  0.881  1.0
  Co  Co15  1  0.456  0.987  0.619  1.0
  Co  Co16  1  0.544  0.013  0.119  1.0
  Co  Co17  1  0.544  0.013  0.381  1.0
  Co  Co18  1  0.956  0.513  0.619  1.0
  Co  Co19  1  0.956  0.513  0.881  1.0
  O  O20  1  0.126  0.636  0.750  1.0
  O  O21  1  0.204  0.399  0.532  1.0
  O  O22  1  0.204  0.399  0.968  1.0
  O  O23  1  0.228  0.057  0.750  1.0
  O  O24  1  0.272  0.557  0.250  1.0
  O  O25  1  0.296  0.899  0.032  1.0
  O  O26  1  0.296  0.899  0.468  1.0
  O  O27  1  0.374  0.136  0.250  1.0
  O  O28  1  0.626  0.864  0.750  1.0
  O  O29  1  0.704  0.101  0.532  1.0
  O  O30  1  0.704  0.101  0.968  1.0
  O  O31  1  0.728  0.443  0.750  1.0
  O  O32  1  0.772  0.943  0.250  1.0
  O  O33  1  0.796  0.601  0.032  1.0
  O  O34  1  0.796  0.601  0.468  1.0
  O  O35  1  0.874  0.364  0.250  1.0
[/CIF]
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The crystal structure described by Na3(CoO2)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Co(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted edge-sharing CoO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Na(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(2), three equivalent Na(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.639
_cell_length_b   8.604
_cell_length_c   10.092
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.705
_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  0.039  0.146  0.101  1.0
  Na  Na1  1  0.039  0.146  0.399  1.0
  Na  Na2  1  0.137  0.822  0.250  1.0
  Na  Na3  1  0.363  0.322  0.750  1.0
  Na  Na4  1  0.461  0.646  0.899  1.0
  Na  Na5  1  0.461  0.646  0.601  1.0
  Na  Na6  1  0.539  0.354  0.101  1.0
  Na  Na7  1  0.539  0.354  0.399  1.0
  Na  Na8  1  0.637  0.678  0.250  1.0
  Na  Na9  1  0.863  0.178  0.750  1.0
  Na  Na10  1  0.961  0.854  0.601  1.0
  Na  Na11  1  0.961  0.854  0.899  1.0
  Co  Co12  1  0.044  0.487  0.119  1.0
  Co  Co13  1  0.044  0.487  0.381  1.0
  Co  Co14  1  0.456  0.987  0.881  1.0
  Co  Co15  1  0.456  0.987  0.619  1.0
  Co  Co16  1  0.544  0.013  0.119  1.0
  Co  Co17  1  0.544  0.013  0.381  1.0
  Co  Co18  1  0.956  0.513  0.619  1.0
  Co  Co19  1  0.956  0.513  0.881  1.0
  O  O20  1  0.126  0.636  0.750  1.0
  O  O21  1  0.204  0.399  0.532  1.0
  O  O22  1  0.204  0.399  0.968  1.0
  O  O23  1  0.228  0.057  0.750  1.0
  O  O24  1  0.272  0.557  0.250  1.0
  O  O25  1  0.296  0.899  0.032  1.0
  O  O26  1  0.296  0.899  0.468  1.0
  O  O27  1  0.374  0.136  0.250  1.0
  O  O28  1  0.626  0.864  0.750  1.0
  O  O29  1  0.704  0.101  0.532  1.0
  O  O30  1  0.704  0.101  0.968  1.0
  O  O31  1  0.728  0.443  0.750  1.0
  O  O32  1  0.772  0.943  0.250  1.0
  O  O33  1  0.796  0.601  0.032  1.0
  O  O34  1  0.796  0.601  0.468  1.0
  O  O35  1  0.874  0.364  0.250  1.0
[/CIF]
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