The crystal structure described by NaCo2O3 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), and two equivalent O(2) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form corner-sharing CoO4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form corner-sharing CoO4 tetrahedra. In the third Co site, Co(3) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing CoO4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing CoO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), one Co(2), and one Co(3) atom to form distorted ONa3Co2 trigonal bipyramids that share  a cornercorner with one O(4)NaCo3 tetrahedra, corners with three equivalent O(3)NaCo3 tetrahedra, corners with two equivalent O(1)Na3Co2 trigonal bipyramids,  a cornercorner with one O(6)NaCo3 trigonal pyramid, corners with three equivalent O(5)NaCo3 trigonal pyramids,  an edgeedge with one O(4)NaCo3 tetrahedra, edges with two equivalent O(2)Na3Co2 trigonal bipyramids, and  an edgeedge with one O(6)NaCo3 trigonal pyramid. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(2), one Co(1), and one Co(4) atom to form distorted ONa3Co2 trigonal bipyramids that share  a cornercorner with one O(3)NaCo3 tetrahedra, corners with three equivalent O(4)NaCo3 tetrahedra, corners with two equivalent O(2)Na3Co2 trigonal bipyramids,  a cornercorner with one O(5)NaCo3 trigonal pyramid, corners with three equivalent O(6)NaCo3 trigonal pyramids,  an edgeedge with one O(3)NaCo3 tetrahedra, edges with two equivalent O(1)Na3Co2 trigonal bipyramids, and  an edgeedge with one O(5)NaCo3 trigonal pyramid. In the third O site, O(3) is bonded to one Na(2), one Co(1), one Co(2), and one Co(3) atom to form ONaCo3 tetrahedra that share corners with two equivalent O(4)NaCo3 tetrahedra,  a cornercorner with one O(2)Na3Co2 trigonal bipyramid, corners with three equivalent O(1)Na3Co2 trigonal bipyramids, corners with two equivalent O(6)NaCo3 trigonal pyramids, corners with three equivalent O(5)NaCo3 trigonal pyramids, and  an edgeedge with one O(2)Na3Co2 trigonal bipyramid. In the fourth O site, O(4) is bonded to one Na(1), one Co(1), one Co(3), and one Co(4) atom to form ONaCo3 tetrahedra that share corners with two equivalent O(3)NaCo3 tetrahedra,  a cornercorner with one O(1)Na3Co2 trigonal bipyramid, corners with three equivalent O(2)Na3Co2 trigonal bipyramids, corners with two equivalent O(5)NaCo3 trigonal pyramids, corners with three equivalent O(6)NaCo3 trigonal pyramids, and  an edgeedge with one O(1)Na3Co2 trigonal bipyramid. In the fifth O site, O(5) is bonded to one Na(2), one Co(2), one Co(3), and one Co(4) atom to form ONaCo3 trigonal pyramids that share corners with two equivalent O(4)NaCo3 tetrahedra, corners with three equivalent O(3)NaCo3 tetrahedra,  a cornercorner with one O(2)Na3Co2 trigonal bipyramid, corners with three equivalent O(1)Na3Co2 trigonal bipyramids, corners with two equivalent O(6)NaCo3 trigonal pyramids, and  an edgeedge with one O(2)Na3Co2 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Na(1), one Co(1), one Co(2), and one Co(4) atom to form ONaCo3 trigonal pyramids that share corners with two equivalent O(3)NaCo3 tetrahedra, corners with three equivalent O(4)NaCo3 tetrahedra,  a cornercorner with one O(1)Na3Co2 trigonal bipyramid, corners with three equivalent O(2)Na3Co2 trigonal bipyramids, corners with two equivalent O(5)NaCo3 trigonal pyramids, and  an edgeedge with one O(1)Na3Co2 trigonal bipyramid. is represented by the CIF file [CIF]
data_NaCo2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.188
_cell_length_b   5.901
_cell_length_c   5.899
_cell_angle_alpha   119.682
_cell_angle_beta   90.406
_cell_angle_gamma   89.618
_symmetry_Int_Tables_number   1
_cell_volume   156.883
_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  0.995  0.327  0.327  1.0
  Na  Na1  1  0.495  0.673  0.673  1.0
  Co  Co2  1  0.019  0.011  0.671  1.0
  Co  Co3  1  0.508  0.995  0.326  1.0
  Co  Co4  1  0.519  0.330  0.989  1.0
  Co  Co5  1  0.008  0.674  0.005  1.0
  O  O6  1  0.466  0.277  0.286  1.0
  O  O7  1  0.966  0.714  0.723  1.0
  O  O8  1  0.397  0.047  0.654  1.0
  O  O9  1  0.896  0.346  0.952  1.0
  O  O10  1  0.378  0.673  0.067  1.0
  O  O11  1  0.878  0.934  0.327  1.0
[/CIF]
.
The crystal structure described by NaCo2O3 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), and two equivalent O(2) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form corner-sharing CoO4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form corner-sharing CoO4 tetrahedra. In the third Co site, Co(3) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing CoO4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing CoO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), one Co(2), and one Co(3) atom to form distorted ONa3Co2 trigonal bipyramids that share  a cornercorner with one O(4)NaCo3 tetrahedra, corners with three equivalent O(3)NaCo3 tetrahedra, corners with two equivalent O(1)Na3Co2 trigonal bipyramids,  a cornercorner with one O(6)NaCo3 trigonal pyramid, corners with three equivalent O(5)NaCo3 trigonal pyramids,  an edgeedge with one O(4)NaCo3 tetrahedra, edges with two equivalent O(2)Na3Co2 trigonal bipyramids, and  an edgeedge with one O(6)NaCo3 trigonal pyramid. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(2), one Co(1), and one Co(4) atom to form distorted ONa3Co2 trigonal bipyramids that share  a cornercorner with one O(3)NaCo3 tetrahedra, corners with three equivalent O(4)NaCo3 tetrahedra, corners with two equivalent O(2)Na3Co2 trigonal bipyramids,  a cornercorner with one O(5)NaCo3 trigonal pyramid, corners with three equivalent O(6)NaCo3 trigonal pyramids,  an edgeedge with one O(3)NaCo3 tetrahedra, edges with two equivalent O(1)Na3Co2 trigonal bipyramids, and  an edgeedge with one O(5)NaCo3 trigonal pyramid. In the third O site, O(3) is bonded to one Na(2), one Co(1), one Co(2), and one Co(3) atom to form ONaCo3 tetrahedra that share corners with two equivalent O(4)NaCo3 tetrahedra,  a cornercorner with one O(2)Na3Co2 trigonal bipyramid, corners with three equivalent O(1)Na3Co2 trigonal bipyramids, corners with two equivalent O(6)NaCo3 trigonal pyramids, corners with three equivalent O(5)NaCo3 trigonal pyramids, and  an edgeedge with one O(2)Na3Co2 trigonal bipyramid. In the fourth O site, O(4) is bonded to one Na(1), one Co(1), one Co(3), and one Co(4) atom to form ONaCo3 tetrahedra that share corners with two equivalent O(3)NaCo3 tetrahedra,  a cornercorner with one O(1)Na3Co2 trigonal bipyramid, corners with three equivalent O(2)Na3Co2 trigonal bipyramids, corners with two equivalent O(5)NaCo3 trigonal pyramids, corners with three equivalent O(6)NaCo3 trigonal pyramids, and  an edgeedge with one O(1)Na3Co2 trigonal bipyramid. In the fifth O site, O(5) is bonded to one Na(2), one Co(2), one Co(3), and one Co(4) atom to form ONaCo3 trigonal pyramids that share corners with two equivalent O(4)NaCo3 tetrahedra, corners with three equivalent O(3)NaCo3 tetrahedra,  a cornercorner with one O(2)Na3Co2 trigonal bipyramid, corners with three equivalent O(1)Na3Co2 trigonal bipyramids, corners with two equivalent O(6)NaCo3 trigonal pyramids, and  an edgeedge with one O(2)Na3Co2 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Na(1), one Co(1), one Co(2), and one Co(4) atom to form ONaCo3 trigonal pyramids that share corners with two equivalent O(3)NaCo3 tetrahedra, corners with three equivalent O(4)NaCo3 tetrahedra,  a cornercorner with one O(1)Na3Co2 trigonal bipyramid, corners with three equivalent O(2)Na3Co2 trigonal bipyramids, corners with two equivalent O(5)NaCo3 trigonal pyramids, and  an edgeedge with one O(1)Na3Co2 trigonal bipyramid. is represented by the CIF file [CIF]
data_NaCo2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.188
_cell_length_b   5.901
_cell_length_c   5.899
_cell_angle_alpha   119.682
_cell_angle_beta   90.406
_cell_angle_gamma   89.618
_symmetry_Int_Tables_number   1
_cell_volume   156.883
_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  0.995  0.327  0.327  1.0
  Na  Na1  1  0.495  0.673  0.673  1.0
  Co  Co2  1  0.019  0.011  0.671  1.0
  Co  Co3  1  0.508  0.995  0.326  1.0
  Co  Co4  1  0.519  0.330  0.989  1.0
  Co  Co5  1  0.008  0.674  0.005  1.0
  O  O6  1  0.466  0.277  0.286  1.0
  O  O7  1  0.966  0.714  0.723  1.0
  O  O8  1  0.397  0.047  0.654  1.0
  O  O9  1  0.896  0.346  0.952  1.0
  O  O10  1  0.378  0.673  0.067  1.0
  O  O11  1  0.878  0.934  0.327  1.0
[/CIF]
.