The compound described by Na(CoO2)3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent Co sites. In the first Co site, Co(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 edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. 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 edge-sharing CoO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaCo3 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Co(1), one Co(2), 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(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Na(1), one Co(1), one Co(2), and one Co(3) atom. 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 a mixture of distorted corner and edge-sharing ONaCo3 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Na(1), one Co(1), one Co(2), and one Co(3) atom. is represented by the CIF file [CIF]
data_Na(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.574
_cell_length_b   4.975
_cell_length_c   5.537
_cell_angle_alpha   61.952
_cell_angle_beta   56.894
_cell_angle_gamma   30.350
_symmetry_Int_Tables_number   1
_cell_volume   99.971
_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  0.203  0.962  0.440  1.0
  Co  Co1  1  0.999  0.964  0.068  1.0
  Co  Co2  1  0.486  0.946  0.627  1.0
  Co  Co3  1  0.668  0.969  0.028  1.0
  O  O4  1  0.084  0.277  0.824  1.0
  O  O5  1  0.265  0.545  0.273  1.0
  O  O6  1  0.407  0.303  0.833  1.0
  O  O7  1  0.657  0.585  0.283  1.0
  O  O8  1  0.758  0.282  0.833  1.0
  O  O9  1  0.831  0.789  0.285  1.0
[/CIF]
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The compound described by Na(CoO2)3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent Co sites. In the first Co site, Co(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 edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. 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 edge-sharing CoO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaCo3 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Co(1), one Co(2), 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(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Na(1), one Co(1), one Co(2), and one Co(3) atom. 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 a mixture of distorted corner and edge-sharing ONaCo3 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Na(1), one Co(1), one Co(2), and one Co(3) atom. is represented by the CIF file [CIF]
data_Na(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.574
_cell_length_b   4.975
_cell_length_c   5.537
_cell_angle_alpha   61.952
_cell_angle_beta   56.894
_cell_angle_gamma   30.350
_symmetry_Int_Tables_number   1
_cell_volume   99.971
_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  0.203  0.962  0.440  1.0
  Co  Co1  1  0.999  0.964  0.068  1.0
  Co  Co2  1  0.486  0.946  0.627  1.0
  Co  Co3  1  0.668  0.969  0.028  1.0
  O  O4  1  0.084  0.277  0.824  1.0
  O  O5  1  0.265  0.545  0.273  1.0
  O  O6  1  0.407  0.303  0.833  1.0
  O  O7  1  0.657  0.585  0.283  1.0
  O  O8  1  0.758  0.282  0.833  1.0
  O  O9  1  0.831  0.789  0.285  1.0
[/CIF]
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