The compound described by Na2CoO3 is Krennerite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with three equivalent Co(1)O5 square pyramids, corners with three equivalent Co(2)O5 square pyramids, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent Na(4)O6 octahedra,  an edgeedge with one Co(1)O5 square pyramid, and  an edgeedge with one Co(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 18-19°. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Na(4)O6 octahedra,  a cornercorner with one Co(1)O5 square pyramid,  a cornercorner with one Co(2)O5 square pyramid, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Co(1)O5 square pyramids, and edges with two equivalent Co(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 18-23°. In the third Na site, Na(3) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(6) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one Co(1)O5 square pyramid, corners with three equivalent Co(2)O5 square pyramids,  an edgeedge with one Na(4)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra,  an edgeedge with one Co(1)O5 square pyramid, and edges with two equivalent Co(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 18-23°. In the fourth Na site, Na(4) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one Co(2)O5 square pyramid, corners with three equivalent Co(1)O5 square pyramids,  an edgeedge with one Na(3)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with three equivalent Na(1)O6 octahedra,  an edgeedge with one Co(2)O5 square pyramid, and edges with two equivalent Co(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 19-23°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form distorted CoO5 square pyramids that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra, corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Na(4)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(4)O6 octahedra,  an edgeedge with one Co(1)O5 square pyramid, and  an edgeedge with one Co(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-84°. In the second Co site, Co(2) is bonded to one O(3), one O(5), one O(6), and two equivalent O(2) atoms to form distorted CoO5 square pyramids that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra, corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Na(3)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra,  an edgeedge with one Co(1)O5 square pyramid, and  an edgeedge with one Co(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-85°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), two equivalent Na(4), and two equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing ONa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), and one Co(1) atom. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), two equivalent Na(4), one Co(1), and one Co(2) atom to form a mixture of distorted edge and corner-sharing ONa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), two equivalent Na(3), one Co(1), and one Co(2) atom to form a mixture of distorted edge and corner-sharing ONa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.271
_cell_length_b   5.791
_cell_length_c   5.418
_cell_angle_alpha   104.206
_cell_angle_beta   113.838
_cell_angle_gamma   100.678
_symmetry_Int_Tables_number   1
_cell_volume   138.901
_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
  Co  Co0  1  0.690  0.977  0.355  1.0
  Co  Co1  1  0.310  0.023  0.645  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Na  Na3  1  1.000  0.000  1.000  1.0
  Na  Na4  1  0.154  0.515  0.835  1.0
  Na  Na5  1  0.846  0.485  0.165  1.0
  O  O6  1  0.684  0.202  0.669  1.0
  O  O7  1  0.316  0.798  0.331  1.0
  O  O8  1  0.604  0.784  0.013  1.0
  O  O9  1  0.959  0.797  0.573  1.0
  O  O10  1  0.397  0.215  0.987  1.0
  O  O11  1  0.041  0.203  0.427  1.0
[/CIF]
.
The compound described by Na2CoO3 is Krennerite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with three equivalent Co(1)O5 square pyramids, corners with three equivalent Co(2)O5 square pyramids, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent Na(4)O6 octahedra,  an edgeedge with one Co(1)O5 square pyramid, and  an edgeedge with one Co(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 18-19°. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Na(4)O6 octahedra,  a cornercorner with one Co(1)O5 square pyramid,  a cornercorner with one Co(2)O5 square pyramid, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Co(1)O5 square pyramids, and edges with two equivalent Co(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 18-23°. In the third Na site, Na(3) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(6) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one Co(1)O5 square pyramid, corners with three equivalent Co(2)O5 square pyramids,  an edgeedge with one Na(4)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra,  an edgeedge with one Co(1)O5 square pyramid, and edges with two equivalent Co(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 18-23°. In the fourth Na site, Na(4) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one Co(2)O5 square pyramid, corners with three equivalent Co(1)O5 square pyramids,  an edgeedge with one Na(3)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with three equivalent Na(1)O6 octahedra,  an edgeedge with one Co(2)O5 square pyramid, and edges with two equivalent Co(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 19-23°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form distorted CoO5 square pyramids that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra, corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Na(4)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(4)O6 octahedra,  an edgeedge with one Co(1)O5 square pyramid, and  an edgeedge with one Co(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-84°. In the second Co site, Co(2) is bonded to one O(3), one O(5), one O(6), and two equivalent O(2) atoms to form distorted CoO5 square pyramids that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra, corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Na(3)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra,  an edgeedge with one Co(1)O5 square pyramid, and  an edgeedge with one Co(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-85°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), two equivalent Na(4), and two equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing ONa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), and one Co(1) atom. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), two equivalent Na(4), one Co(1), and one Co(2) atom to form a mixture of distorted edge and corner-sharing ONa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), two equivalent Na(3), one Co(1), and one Co(2) atom to form a mixture of distorted edge and corner-sharing ONa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.271
_cell_length_b   5.791
_cell_length_c   5.418
_cell_angle_alpha   104.206
_cell_angle_beta   113.838
_cell_angle_gamma   100.678
_symmetry_Int_Tables_number   1
_cell_volume   138.901
_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
  Co  Co0  1  0.690  0.977  0.355  1.0
  Co  Co1  1  0.310  0.023  0.645  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Na  Na3  1  1.000  0.000  1.000  1.0
  Na  Na4  1  0.154  0.515  0.835  1.0
  Na  Na5  1  0.846  0.485  0.165  1.0
  O  O6  1  0.684  0.202  0.669  1.0
  O  O7  1  0.316  0.798  0.331  1.0
  O  O8  1  0.604  0.784  0.013  1.0
  O  O9  1  0.959  0.797  0.573  1.0
  O  O10  1  0.397  0.215  0.987  1.0
  O  O11  1  0.041  0.203  0.427  1.0
[/CIF]
.