The compound described by Na(CoO2)3 crystallizes in the trigonal R32 space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), and three equivalent O(3) atoms. Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), and three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1) and three equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Na(1) and one O(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1) and three equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent Co(1), one O(2), and one O(4) atom. is represented by the CIF file [CIF]
data_Na(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.936
_cell_length_b   4.936
_cell_length_c   4.936
_cell_angle_alpha   66.110
_cell_angle_beta   66.110
_cell_angle_gamma   66.110
_symmetry_Int_Tables_number   1
_cell_volume   96.288
_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  0.185  0.185  0.185  1.0
  Na  Na1  1  0.815  0.815  0.815  1.0
  Co  Co2  1  0.412  0.738  0.099  1.0
  Co  Co3  1  0.588  0.901  0.262  1.0
  Co  Co4  1  0.738  0.099  0.412  1.0
  Co  Co5  1  0.099  0.412  0.738  1.0
  Co  Co6  1  0.901  0.262  0.588  1.0
  Co  Co7  1  0.262  0.588  0.901  1.0
  O  O8  1  0.052  0.052  0.052  1.0
  O  O9  1  0.675  0.675  0.675  1.0
  O  O10  1  0.433  0.061  0.764  1.0
  O  O11  1  0.567  0.236  0.939  1.0
  O  O12  1  0.566  0.566  0.566  1.0
  O  O13  1  0.434  0.434  0.434  1.0
  O  O14  1  0.764  0.433  0.061  1.0
  O  O15  1  0.939  0.567  0.236  1.0
  O  O16  1  0.325  0.325  0.325  1.0
  O  O17  1  0.948  0.948  0.948  1.0
  O  O18  1  0.061  0.764  0.433  1.0
  O  O19  1  0.236  0.939  0.567  1.0
[/CIF]
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The compound described by Na(CoO2)3 crystallizes in the trigonal R32 space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), and three equivalent O(3) atoms. Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), and three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1) and three equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Na(1) and one O(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1) and three equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent Co(1), one O(2), and one O(4) atom. is represented by the CIF file [CIF]
data_Na(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.936
_cell_length_b   4.936
_cell_length_c   4.936
_cell_angle_alpha   66.110
_cell_angle_beta   66.110
_cell_angle_gamma   66.110
_symmetry_Int_Tables_number   1
_cell_volume   96.288
_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  0.185  0.185  0.185  1.0
  Na  Na1  1  0.815  0.815  0.815  1.0
  Co  Co2  1  0.412  0.738  0.099  1.0
  Co  Co3  1  0.588  0.901  0.262  1.0
  Co  Co4  1  0.738  0.099  0.412  1.0
  Co  Co5  1  0.099  0.412  0.738  1.0
  Co  Co6  1  0.901  0.262  0.588  1.0
  Co  Co7  1  0.262  0.588  0.901  1.0
  O  O8  1  0.052  0.052  0.052  1.0
  O  O9  1  0.675  0.675  0.675  1.0
  O  O10  1  0.433  0.061  0.764  1.0
  O  O11  1  0.567  0.236  0.939  1.0
  O  O12  1  0.566  0.566  0.566  1.0
  O  O13  1  0.434  0.434  0.434  1.0
  O  O14  1  0.764  0.433  0.061  1.0
  O  O15  1  0.939  0.567  0.236  1.0
  O  O16  1  0.325  0.325  0.325  1.0
  O  O17  1  0.948  0.948  0.948  1.0
  O  O18  1  0.061  0.764  0.433  1.0
  O  O19  1  0.236  0.939  0.567  1.0
[/CIF]
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