The material described by NaCo2O3 crystallizes in the orthorhombic Cmc2_1 space group. Na(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form distorted NaO5 trigonal bipyramids that share corners with eight equivalent Co(1)O4 tetrahedra, corners with two equivalent Na(1)O5 trigonal bipyramids, edges with two equivalent Co(1)O4 tetrahedra, and edges with two equivalent Na(1)O5 trigonal bipyramids. Co(1) is bonded to one O(2) and three equivalent O(1) atoms to form CoO4 tetrahedra that share corners with seven 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 two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1) and three equivalent Co(1) atoms to form ONaCo3 tetrahedra that share corners with seven equivalent O(1)NaCo3 tetrahedra, corners with four equivalent O(2)Na3Co2 trigonal bipyramids, and  an edgeedge with one O(2)Na3Co2 trigonal bipyramid. In the second O site, O(2) is bonded to three equivalent Na(1) and two equivalent Co(1) atoms to form distorted ONa3Co2 trigonal bipyramids that share corners with eight equivalent O(1)NaCo3 tetrahedra, corners with two equivalent O(2)Na3Co2 trigonal bipyramids, edges with two equivalent O(1)NaCo3 tetrahedra, and edges with two equivalent O(2)Na3Co2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCo2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.924
_cell_length_b   5.924
_cell_length_c   5.161
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.889
_symmetry_Int_Tables_number   1
_cell_volume   157.020
_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  0.327  0.995  1.0
  Na  Na1  1  0.673  0.673  0.495  1.0
  Co  Co2  1  0.994  0.329  0.508  1.0
  Co  Co3  1  0.671  0.006  0.008  1.0
  Co  Co4  1  0.329  0.994  0.508  1.0
  Co  Co5  1  0.006  0.671  0.008  1.0
  O  O6  1  0.663  0.051  0.390  1.0
  O  O7  1  0.949  0.337  0.890  1.0
  O  O8  1  0.281  0.281  0.470  1.0
  O  O9  1  0.719  0.719  0.970  1.0
  O  O10  1  0.051  0.663  0.390  1.0
  O  O11  1  0.337  0.949  0.890  1.0
[/CIF]
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The material described by NaCo2O3 crystallizes in the orthorhombic Cmc2_1 space group. Na(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form distorted NaO5 trigonal bipyramids that share corners with eight equivalent Co(1)O4 tetrahedra, corners with two equivalent Na(1)O5 trigonal bipyramids, edges with two equivalent Co(1)O4 tetrahedra, and edges with two equivalent Na(1)O5 trigonal bipyramids. Co(1) is bonded to one O(2) and three equivalent O(1) atoms to form CoO4 tetrahedra that share corners with seven 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 two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1) and three equivalent Co(1) atoms to form ONaCo3 tetrahedra that share corners with seven equivalent O(1)NaCo3 tetrahedra, corners with four equivalent O(2)Na3Co2 trigonal bipyramids, and  an edgeedge with one O(2)Na3Co2 trigonal bipyramid. In the second O site, O(2) is bonded to three equivalent Na(1) and two equivalent Co(1) atoms to form distorted ONa3Co2 trigonal bipyramids that share corners with eight equivalent O(1)NaCo3 tetrahedra, corners with two equivalent O(2)Na3Co2 trigonal bipyramids, edges with two equivalent O(1)NaCo3 tetrahedra, and edges with two equivalent O(2)Na3Co2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCo2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.924
_cell_length_b   5.924
_cell_length_c   5.161
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.889
_symmetry_Int_Tables_number   1
_cell_volume   157.020
_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  0.327  0.995  1.0
  Na  Na1  1  0.673  0.673  0.495  1.0
  Co  Co2  1  0.994  0.329  0.508  1.0
  Co  Co3  1  0.671  0.006  0.008  1.0
  Co  Co4  1  0.329  0.994  0.508  1.0
  Co  Co5  1  0.006  0.671  0.008  1.0
  O  O6  1  0.663  0.051  0.390  1.0
  O  O7  1  0.949  0.337  0.890  1.0
  O  O8  1  0.281  0.281  0.470  1.0
  O  O9  1  0.719  0.719  0.970  1.0
  O  O10  1  0.051  0.663  0.390  1.0
  O  O11  1  0.337  0.949  0.890  1.0
[/CIF]
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