The material structure described by Na2(CoO2)3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted pentagonal pyramidal geometry to two equivalent O(3) and four equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a distorted pentagonal pyramidal geometry to two equivalent O(4) and four equivalent O(1) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Na(2), one Na(3), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted square co-planar geometry to one Na(1), one Na(3), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(3), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Na2(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.178
_cell_length_b   11.131
_cell_length_c   6.749
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   13.595
_symmetry_Int_Tables_number   1
_cell_volume   303.329
_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  0.333  0.244  0.250  1.0
  Na  Na1  1  0.333  0.775  0.750  1.0
  Na  Na2  1  0.673  0.239  0.250  1.0
  Na  Na3  1  0.994  0.258  0.250  1.0
  Co  Co4  1  0.995  0.017  0.000  1.0
  Co  Co5  1  0.333  0.014  0.494  1.0
  Co  Co6  1  0.333  0.014  0.006  1.0
  Co  Co7  1  0.671  0.003  0.000  1.0
  Co  Co8  1  0.671  0.003  0.500  1.0
  Co  Co9  1  0.995  0.017  0.500  1.0
  O  O10  1  0.003  0.396  0.999  1.0
  O  O11  1  0.993  0.634  0.477  1.0
  O  O12  1  0.333  0.405  0.485  1.0
  O  O13  1  0.333  0.405  0.015  1.0
  O  O14  1  0.333  0.621  0.487  1.0
  O  O15  1  0.333  0.621  0.013  1.0
  O  O16  1  0.664  0.404  0.501  1.0
  O  O17  1  0.664  0.404  0.999  1.0
  O  O18  1  0.674  0.612  0.023  1.0
  O  O19  1  0.674  0.612  0.477  1.0
  O  O20  1  0.003  0.396  0.501  1.0
  O  O21  1  0.993  0.634  0.023  1.0
[/CIF]
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The material structure described by Na2(CoO2)3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted pentagonal pyramidal geometry to two equivalent O(3) and four equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a distorted pentagonal pyramidal geometry to two equivalent O(4) and four equivalent O(1) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Na(2), one Na(3), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted square co-planar geometry to one Na(1), one Na(3), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(3), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Na2(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.178
_cell_length_b   11.131
_cell_length_c   6.749
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   13.595
_symmetry_Int_Tables_number   1
_cell_volume   303.329
_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  0.333  0.244  0.250  1.0
  Na  Na1  1  0.333  0.775  0.750  1.0
  Na  Na2  1  0.673  0.239  0.250  1.0
  Na  Na3  1  0.994  0.258  0.250  1.0
  Co  Co4  1  0.995  0.017  0.000  1.0
  Co  Co5  1  0.333  0.014  0.494  1.0
  Co  Co6  1  0.333  0.014  0.006  1.0
  Co  Co7  1  0.671  0.003  0.000  1.0
  Co  Co8  1  0.671  0.003  0.500  1.0
  Co  Co9  1  0.995  0.017  0.500  1.0
  O  O10  1  0.003  0.396  0.999  1.0
  O  O11  1  0.993  0.634  0.477  1.0
  O  O12  1  0.333  0.405  0.485  1.0
  O  O13  1  0.333  0.405  0.015  1.0
  O  O14  1  0.333  0.621  0.487  1.0
  O  O15  1  0.333  0.621  0.013  1.0
  O  O16  1  0.664  0.404  0.501  1.0
  O  O17  1  0.664  0.404  0.999  1.0
  O  O18  1  0.674  0.612  0.023  1.0
  O  O19  1  0.674  0.612  0.477  1.0
  O  O20  1  0.003  0.396  0.501  1.0
  O  O21  1  0.993  0.634  0.023  1.0
[/CIF]
.