The material structure described by Na4CoO3 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted corner-sharing NaO4 trigonal pyramids. In the second Na site, Na(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the fourth Na site, Na(4) is bonded in a distorted see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. Co(1) is bonded in a distorted 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(1), one Na(2), one Na(3), two equivalent Na(4), and one Co(1) atom to form a mixture of corner and edge-sharing ONa5Co octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Na(4), two equivalent Na(3), and one Co(1) atom to form a mixture of distorted corner and edge-sharing ONa5Co octahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.140
_cell_length_b   6.140
_cell_length_c   8.100
_cell_angle_alpha   68.766
_cell_angle_beta   68.766
_cell_angle_gamma   55.178
_symmetry_Int_Tables_number   1
_cell_volume   228.792
_cell_formula_units_Z   2
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  0.925  0.241  0.935  1.0
  Na  Na1  1  0.648  0.328  0.614  1.0
  Na  Na2  1  0.096  0.433  0.528  1.0
  Na  Na3  1  0.898  0.476  0.212  1.0
  Na  Na4  1  0.241  0.925  0.435  1.0
  Na  Na5  1  0.433  0.096  0.028  1.0
  Na  Na6  1  0.328  0.648  0.114  1.0
  Na  Na7  1  0.476  0.898  0.712  1.0
  Co  Co8  1  0.010  0.707  0.813  1.0
  Co  Co9  1  0.707  0.010  0.313  1.0
  O  O10  1  0.683  0.697  0.454  1.0
  O  O11  1  0.357  0.256  0.271  1.0
  O  O12  1  0.011  0.029  0.227  1.0
  O  O13  1  0.029  0.011  0.727  1.0
  O  O14  1  0.256  0.357  0.771  1.0
  O  O15  1  0.697  0.683  0.954  1.0
[/CIF]
.
The material structure described by Na4CoO3 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted corner-sharing NaO4 trigonal pyramids. In the second Na site, Na(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the fourth Na site, Na(4) is bonded in a distorted see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. Co(1) is bonded in a distorted 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(1), one Na(2), one Na(3), two equivalent Na(4), and one Co(1) atom to form a mixture of corner and edge-sharing ONa5Co octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Na(4), two equivalent Na(3), and one Co(1) atom to form a mixture of distorted corner and edge-sharing ONa5Co octahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.140
_cell_length_b   6.140
_cell_length_c   8.100
_cell_angle_alpha   68.766
_cell_angle_beta   68.766
_cell_angle_gamma   55.178
_symmetry_Int_Tables_number   1
_cell_volume   228.792
_cell_formula_units_Z   2
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  0.925  0.241  0.935  1.0
  Na  Na1  1  0.648  0.328  0.614  1.0
  Na  Na2  1  0.096  0.433  0.528  1.0
  Na  Na3  1  0.898  0.476  0.212  1.0
  Na  Na4  1  0.241  0.925  0.435  1.0
  Na  Na5  1  0.433  0.096  0.028  1.0
  Na  Na6  1  0.328  0.648  0.114  1.0
  Na  Na7  1  0.476  0.898  0.712  1.0
  Co  Co8  1  0.010  0.707  0.813  1.0
  Co  Co9  1  0.707  0.010  0.313  1.0
  O  O10  1  0.683  0.697  0.454  1.0
  O  O11  1  0.357  0.256  0.271  1.0
  O  O12  1  0.011  0.029  0.227  1.0
  O  O13  1  0.029  0.011  0.727  1.0
  O  O14  1  0.256  0.357  0.771  1.0
  O  O15  1  0.697  0.683  0.954  1.0
[/CIF]
.