The structure described by Na(CoO2)3 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Co(2)O4 tetrahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 36°. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted CoO4 tetrahedra that share corners with four equivalent Co(3)O6 octahedra and corners with three equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 33-71°. In the third Co site, Co(3) 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 CoO6 octahedra that share corners with four equivalent Co(2)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid, and edges with two equivalent Co(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Co(1), and one Co(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Co(2), one Co(3), and one O(6) atom. In the fourth O site, O(4) is bonded to one Na(1), one Co(1), one Co(2), and one Co(3) atom to form corner-sharing ONaCo3 tetrahedra. In the fifth O site, O(5) is bonded to one Na(1), one Co(1), one Co(2), and one Co(3) atom to form distorted corner-sharing ONaCo3 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Co(1), one Co(3), and one O(3) atom. is represented by the CIF file [CIF]
data_Na(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.794
_cell_length_b   5.271
_cell_length_c   5.362
_cell_angle_alpha   63.929
_cell_angle_beta   68.417
_cell_angle_gamma   64.670
_symmetry_Int_Tables_number   1
_cell_volume   107.269
_cell_formula_units_Z   1
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  0.436  0.169  0.191  1.0
  Co  Co1  1  0.124  0.936  0.002  1.0
  Co  Co2  1  0.728  0.468  0.316  1.0
  Co  Co3  1  0.024  0.682  0.644  1.0
  O  O4  1  0.874  0.075  0.381  1.0
  O  O5  1  0.188  0.282  0.849  1.0
  O  O6  1  0.669  0.572  0.642  1.0
  O  O7  1  0.283  0.588  0.309  1.0
  O  O8  1  0.816  0.788  0.992  1.0
  O  O9  1  0.354  0.797  0.654  1.0
[/CIF]
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The structure described by Na(CoO2)3 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Co(2)O4 tetrahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 36°. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted CoO4 tetrahedra that share corners with four equivalent Co(3)O6 octahedra and corners with three equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 33-71°. In the third Co site, Co(3) 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 CoO6 octahedra that share corners with four equivalent Co(2)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid, and edges with two equivalent Co(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Co(1), and one Co(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Co(2), one Co(3), and one O(6) atom. In the fourth O site, O(4) is bonded to one Na(1), one Co(1), one Co(2), and one Co(3) atom to form corner-sharing ONaCo3 tetrahedra. In the fifth O site, O(5) is bonded to one Na(1), one Co(1), one Co(2), and one Co(3) atom to form distorted corner-sharing ONaCo3 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Co(1), one Co(3), and one O(3) atom. is represented by the CIF file [CIF]
data_Na(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.794
_cell_length_b   5.271
_cell_length_c   5.362
_cell_angle_alpha   63.929
_cell_angle_beta   68.417
_cell_angle_gamma   64.670
_symmetry_Int_Tables_number   1
_cell_volume   107.269
_cell_formula_units_Z   1
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  0.436  0.169  0.191  1.0
  Co  Co1  1  0.124  0.936  0.002  1.0
  Co  Co2  1  0.728  0.468  0.316  1.0
  Co  Co3  1  0.024  0.682  0.644  1.0
  O  O4  1  0.874  0.075  0.381  1.0
  O  O5  1  0.188  0.282  0.849  1.0
  O  O6  1  0.669  0.572  0.642  1.0
  O  O7  1  0.283  0.588  0.309  1.0
  O  O8  1  0.816  0.788  0.992  1.0
  O  O9  1  0.354  0.797  0.654  1.0
[/CIF]
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