The material described by Na2CoO3 is Clathrate-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form edge-sharing NaO4 tetrahedra. Co(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing ONa3Co tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one Na(2), and one Co(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), and one Co(1) atom to form a mixture of corner and edge-sharing ONa3Co tetrahedra. is represented by the CIF file [CIF]
data_Na2CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.960
_cell_length_b   7.960
_cell_length_c   10.560
_cell_angle_alpha   79.289
_cell_angle_beta   79.289
_cell_angle_gamma   41.498
_symmetry_Int_Tables_number   1
_cell_volume   434.466
_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  0.610  0.247  0.662  1.0
  Na  Na1  1  0.487  0.163  0.377  1.0
  Na  Na2  1  0.163  0.487  0.877  1.0
  Na  Na3  1  0.247  0.610  0.162  1.0
  Na  Na4  1  0.753  0.390  0.838  1.0
  Na  Na5  1  0.837  0.513  0.123  1.0
  Na  Na6  1  0.513  0.837  0.623  1.0
  Na  Na7  1  0.390  0.753  0.338  1.0
  Co  Co8  1  0.284  0.963  0.974  1.0
  Co  Co9  1  0.963  0.284  0.474  1.0
  Co  Co10  1  0.037  0.716  0.526  1.0
  Co  Co11  1  0.716  0.037  0.026  1.0
  O  O12  1  0.594  0.229  0.888  1.0
  O  O13  1  0.604  0.171  0.165  1.0
  O  O14  1  0.282  0.055  0.443  1.0
  O  O15  1  0.055  0.282  0.943  1.0
  O  O16  1  0.171  0.604  0.665  1.0
  O  O17  1  0.771  0.406  0.612  1.0
  O  O18  1  0.229  0.594  0.388  1.0
  O  O19  1  0.829  0.396  0.335  1.0
  O  O20  1  0.945  0.718  0.057  1.0
  O  O21  1  0.718  0.945  0.557  1.0
  O  O22  1  0.396  0.829  0.835  1.0
  O  O23  1  0.406  0.771  0.112  1.0
[/CIF]
.
The material described by Na2CoO3 is Clathrate-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form edge-sharing NaO4 tetrahedra. Co(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing ONa3Co tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one Na(2), and one Co(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), and one Co(1) atom to form a mixture of corner and edge-sharing ONa3Co tetrahedra. is represented by the CIF file [CIF]
data_Na2CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.960
_cell_length_b   7.960
_cell_length_c   10.560
_cell_angle_alpha   79.289
_cell_angle_beta   79.289
_cell_angle_gamma   41.498
_symmetry_Int_Tables_number   1
_cell_volume   434.466
_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  0.610  0.247  0.662  1.0
  Na  Na1  1  0.487  0.163  0.377  1.0
  Na  Na2  1  0.163  0.487  0.877  1.0
  Na  Na3  1  0.247  0.610  0.162  1.0
  Na  Na4  1  0.753  0.390  0.838  1.0
  Na  Na5  1  0.837  0.513  0.123  1.0
  Na  Na6  1  0.513  0.837  0.623  1.0
  Na  Na7  1  0.390  0.753  0.338  1.0
  Co  Co8  1  0.284  0.963  0.974  1.0
  Co  Co9  1  0.963  0.284  0.474  1.0
  Co  Co10  1  0.037  0.716  0.526  1.0
  Co  Co11  1  0.716  0.037  0.026  1.0
  O  O12  1  0.594  0.229  0.888  1.0
  O  O13  1  0.604  0.171  0.165  1.0
  O  O14  1  0.282  0.055  0.443  1.0
  O  O15  1  0.055  0.282  0.943  1.0
  O  O16  1  0.171  0.604  0.665  1.0
  O  O17  1  0.771  0.406  0.612  1.0
  O  O18  1  0.229  0.594  0.388  1.0
  O  O19  1  0.829  0.396  0.335  1.0
  O  O20  1  0.945  0.718  0.057  1.0
  O  O21  1  0.718  0.945  0.557  1.0
  O  O22  1  0.396  0.829  0.835  1.0
  O  O23  1  0.406  0.771  0.112  1.0
[/CIF]
.