The crystal structure described by NaCo2O3 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded to one O(1), one O(2), and three equivalent O(3) atoms to form distorted NaO5 trigonal bipyramids that share corners with four equivalent Co(1)O4 tetrahedra, corners with four equivalent Co(2)O4 tetrahedra, corners with two equivalent Na(1)O5 trigonal bipyramids,  an edgeedge with one Co(1)O4 tetrahedra,  an edgeedge with one Co(2)O4 tetrahedra, and edges with two equivalent Na(1)O5 trigonal bipyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with five equivalent Co(2)O4 tetrahedra, corners with four equivalent Na(1)O5 trigonal bipyramids, and  an edgeedge with one Na(1)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(2)O4 tetrahedra, corners with five equivalent Co(1)O4 tetrahedra, corners with four equivalent Na(1)O5 trigonal bipyramids, and  an edgeedge with one Na(1)O5 trigonal bipyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Co(1), and two equivalent Co(2) atoms to form ONaCo3 tetrahedra that share corners with two equivalent O(1)NaCo3 tetrahedra, corners with five equivalent O(2)NaCo3 tetrahedra, corners with four equivalent O(3)Na3Co2 trigonal bipyramids, and  an edgeedge with one O(3)Na3Co2 trigonal bipyramid. In the second O site, O(2) is bonded to one Na(1), one Co(2), and two equivalent Co(1) atoms to form distorted ONaCo3 tetrahedra that share corners with two equivalent O(2)NaCo3 tetrahedra, corners with five equivalent O(1)NaCo3 tetrahedra, corners with four equivalent O(3)Na3Co2 trigonal bipyramids, and  an edgeedge with one O(3)Na3Co2 trigonal bipyramid. In the third O site, O(3) is bonded to three equivalent Na(1), one Co(1), and one Co(2) atom to form distorted ONa3Co2 trigonal bipyramids that share corners with four equivalent O(1)NaCo3 tetrahedra, corners with four equivalent O(2)NaCo3 tetrahedra, corners with two equivalent O(3)Na3Co2 trigonal bipyramids,  an edgeedge with one O(1)NaCo3 tetrahedra,  an edgeedge with one O(2)NaCo3 tetrahedra, and edges with two equivalent O(3)Na3Co2 trigonal bipyramids. is represented by the CIF card [CIF]
data_NaCo2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.997
_cell_length_b   5.887
_cell_length_c   5.176
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.688
_symmetry_Int_Tables_number   1
_cell_volume   158.752
_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  0.327  0.328  0.994  1.0
  Na  Na1  1  0.673  0.672  0.494  1.0
  Co  Co2  1  0.327  0.988  0.518  1.0
  Co  Co3  1  0.004  0.673  0.006  1.0
  Co  Co4  1  0.996  0.327  0.506  1.0
  Co  Co5  1  0.673  0.012  0.018  1.0
  O  O6  1  0.043  0.657  0.380  1.0
  O  O7  1  0.329  0.937  0.900  1.0
  O  O8  1  0.277  0.292  0.463  1.0
  O  O9  1  0.723  0.708  0.963  1.0
  O  O10  1  0.671  0.063  0.400  1.0
  O  O11  1  0.957  0.343  0.880  1.0
[/CIF]
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The crystal structure described by NaCo2O3 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded to one O(1), one O(2), and three equivalent O(3) atoms to form distorted NaO5 trigonal bipyramids that share corners with four equivalent Co(1)O4 tetrahedra, corners with four equivalent Co(2)O4 tetrahedra, corners with two equivalent Na(1)O5 trigonal bipyramids,  an edgeedge with one Co(1)O4 tetrahedra,  an edgeedge with one Co(2)O4 tetrahedra, and edges with two equivalent Na(1)O5 trigonal bipyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with five equivalent Co(2)O4 tetrahedra, corners with four equivalent Na(1)O5 trigonal bipyramids, and  an edgeedge with one Na(1)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(2)O4 tetrahedra, corners with five equivalent Co(1)O4 tetrahedra, corners with four equivalent Na(1)O5 trigonal bipyramids, and  an edgeedge with one Na(1)O5 trigonal bipyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Co(1), and two equivalent Co(2) atoms to form ONaCo3 tetrahedra that share corners with two equivalent O(1)NaCo3 tetrahedra, corners with five equivalent O(2)NaCo3 tetrahedra, corners with four equivalent O(3)Na3Co2 trigonal bipyramids, and  an edgeedge with one O(3)Na3Co2 trigonal bipyramid. In the second O site, O(2) is bonded to one Na(1), one Co(2), and two equivalent Co(1) atoms to form distorted ONaCo3 tetrahedra that share corners with two equivalent O(2)NaCo3 tetrahedra, corners with five equivalent O(1)NaCo3 tetrahedra, corners with four equivalent O(3)Na3Co2 trigonal bipyramids, and  an edgeedge with one O(3)Na3Co2 trigonal bipyramid. In the third O site, O(3) is bonded to three equivalent Na(1), one Co(1), and one Co(2) atom to form distorted ONa3Co2 trigonal bipyramids that share corners with four equivalent O(1)NaCo3 tetrahedra, corners with four equivalent O(2)NaCo3 tetrahedra, corners with two equivalent O(3)Na3Co2 trigonal bipyramids,  an edgeedge with one O(1)NaCo3 tetrahedra,  an edgeedge with one O(2)NaCo3 tetrahedra, and edges with two equivalent O(3)Na3Co2 trigonal bipyramids. is represented by the CIF card [CIF]
data_NaCo2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.997
_cell_length_b   5.887
_cell_length_c   5.176
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.688
_symmetry_Int_Tables_number   1
_cell_volume   158.752
_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  0.327  0.328  0.994  1.0
  Na  Na1  1  0.673  0.672  0.494  1.0
  Co  Co2  1  0.327  0.988  0.518  1.0
  Co  Co3  1  0.004  0.673  0.006  1.0
  Co  Co4  1  0.996  0.327  0.506  1.0
  Co  Co5  1  0.673  0.012  0.018  1.0
  O  O6  1  0.043  0.657  0.380  1.0
  O  O7  1  0.329  0.937  0.900  1.0
  O  O8  1  0.277  0.292  0.463  1.0
  O  O9  1  0.723  0.708  0.963  1.0
  O  O10  1  0.671  0.063  0.400  1.0
  O  O11  1  0.957  0.343  0.880  1.0
[/CIF]
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