The structure described by Na5(NiO2)6 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with three equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the second Na site, Na(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted NaO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-17°. In the third Na site, Na(3) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with three equivalent Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with three equivalent Na(3)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-18°. In the third Ni site, Ni(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(2)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(3), one Ni(1), one Ni(2), and one Ni(3) atom to form ONa3Ni3 octahedra that share  a cornercorner with one O(4)Na3Ni3 octahedra, corners with two equivalent O(5)Na3Ni3 octahedra,  a cornercorner with one O(3)Na2Ni3 square pyramid, corners with two equivalent O(6)Na2Ni3 square pyramids,  an edgeedge with one O(1)Na3Ni3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(4)Na3Ni3 octahedra, edges with two equivalent O(2)Na2Ni3 square pyramids, edges with two equivalent O(3)Na2Ni3 square pyramids, and edges with two equivalent O(6)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 1-7°. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Ni(1), and two equivalent Ni(3) atoms to form ONa2Ni3 square pyramids that share  a cornercorner with one O(4)Na3Ni3 octahedra,  a cornercorner with one O(5)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid, corners with two equivalent O(6)Na2Ni3 square pyramids, corners with four equivalent O(3)Na2Ni3 square pyramids, edges with two equivalent O(1)Na3Ni3 octahedra, edges with two equivalent O(4)Na3Ni3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid, and  an edgeedge with one O(3)Na2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 3-8°. In the third O site, O(3) is bonded to one Na(2), one Na(3), one Ni(2), and two equivalent Ni(3) atoms to form ONa2Ni3 square pyramids that share  a cornercorner with one O(1)Na3Ni3 octahedra,  a cornercorner with one O(3)Na2Ni3 square pyramid, corners with three equivalent O(6)Na2Ni3 square pyramids, corners with four equivalent O(2)Na2Ni3 square pyramids, edges with two equivalent O(1)Na3Ni3 octahedra, edges with two equivalent O(4)Na3Ni3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid, and  an edgeedge with one O(3)Na2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 7°. In the fourth O site, O(4) is bonded to one Na(3), two equivalent Na(1), one Ni(1), one Ni(2), and one Ni(3) atom to form ONa3Ni3 octahedra that share  a cornercorner with one O(1)Na3Ni3 octahedra, corners with two equivalent O(5)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid, corners with two equivalent O(6)Na2Ni3 square pyramids,  an edgeedge with one O(4)Na3Ni3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(1)Na3Ni3 octahedra, edges with two equivalent O(2)Na2Ni3 square pyramids, edges with two equivalent O(3)Na2Ni3 square pyramids, and edges with two equivalent O(6)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Na(3), one Ni(2), and two equivalent Ni(1) atoms to form ONa3Ni3 octahedra that share  a cornercorner with one O(5)Na3Ni3 octahedra, corners with two equivalent O(1)Na3Ni3 octahedra, corners with two equivalent O(4)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(5)Na3Ni3 octahedra, edges with two equivalent O(1)Na3Ni3 octahedra, edges with two equivalent O(4)Na3Ni3 octahedra, edges with two equivalent O(2)Na2Ni3 square pyramids, edges with two equivalent O(3)Na2Ni3 square pyramids, and edges with three equivalent O(6)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(6) is bonded to one Na(1), one Na(3), one Ni(1), and two equivalent Ni(2) atoms to form ONa2Ni3 square pyramids that share corners with two equivalent O(1)Na3Ni3 octahedra, corners with two equivalent O(4)Na3Ni3 octahedra, corners with two equivalent O(2)Na2Ni3 square pyramids, corners with three equivalent O(3)Na2Ni3 square pyramids, edges with two equivalent O(1)Na3Ni3 octahedra, edges with two equivalent O(4)Na3Ni3 octahedra, edges with three equivalent O(5)Na3Ni3 octahedra, and  an edgeedge with one O(6)Na2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 1-5°. is represented by the CIF card [CIF]
data_Na5(NiO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.906
_cell_length_b   6.779
_cell_length_c   6.825
_cell_angle_alpha   66.799
_cell_angle_beta   76.680
_cell_angle_gamma   66.932
_symmetry_Int_Tables_number   1
_cell_volume   230.123
_cell_formula_units_Z   1
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  0.321  0.177  0.826  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Na  Na2  1  0.838  0.186  0.817  1.0
  Na  Na3  1  0.162  0.814  0.183  1.0
  Na  Na4  1  0.679  0.823  0.174  1.0
  Ni  Ni5  1  0.582  0.668  0.833  1.0
  Ni  Ni6  1  0.081  0.668  0.833  1.0
  Ni  Ni7  1  0.248  0.002  0.502  1.0
  Ni  Ni8  1  0.418  0.332  0.167  1.0
  Ni  Ni9  1  0.752  0.998  0.498  1.0
  Ni  Ni10  1  0.919  0.332  0.167  1.0
  O  O11  1  0.210  0.896  0.804  1.0
  O  O12  1  0.409  0.213  0.469  1.0
  O  O13  1  0.100  0.786  0.531  1.0
  O  O14  1  0.710  0.897  0.800  1.0
  O  O15  1  0.551  0.556  0.139  1.0
  O  O16  1  0.290  0.103  0.200  1.0
  O  O17  1  0.900  0.214  0.469  1.0
  O  O18  1  0.591  0.787  0.531  1.0
  O  O19  1  0.449  0.444  0.861  1.0
  O  O20  1  0.055  0.553  0.134  1.0
  O  O21  1  0.790  0.104  0.196  1.0
  O  O22  1  0.945  0.447  0.866  1.0
[/CIF]
.
The structure described by Na5(NiO2)6 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with three equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the second Na site, Na(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted NaO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-17°. In the third Na site, Na(3) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with three equivalent Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with three equivalent Na(3)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-18°. In the third Ni site, Ni(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(2)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(3), one Ni(1), one Ni(2), and one Ni(3) atom to form ONa3Ni3 octahedra that share  a cornercorner with one O(4)Na3Ni3 octahedra, corners with two equivalent O(5)Na3Ni3 octahedra,  a cornercorner with one O(3)Na2Ni3 square pyramid, corners with two equivalent O(6)Na2Ni3 square pyramids,  an edgeedge with one O(1)Na3Ni3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(4)Na3Ni3 octahedra, edges with two equivalent O(2)Na2Ni3 square pyramids, edges with two equivalent O(3)Na2Ni3 square pyramids, and edges with two equivalent O(6)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 1-7°. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Ni(1), and two equivalent Ni(3) atoms to form ONa2Ni3 square pyramids that share  a cornercorner with one O(4)Na3Ni3 octahedra,  a cornercorner with one O(5)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid, corners with two equivalent O(6)Na2Ni3 square pyramids, corners with four equivalent O(3)Na2Ni3 square pyramids, edges with two equivalent O(1)Na3Ni3 octahedra, edges with two equivalent O(4)Na3Ni3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid, and  an edgeedge with one O(3)Na2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 3-8°. In the third O site, O(3) is bonded to one Na(2), one Na(3), one Ni(2), and two equivalent Ni(3) atoms to form ONa2Ni3 square pyramids that share  a cornercorner with one O(1)Na3Ni3 octahedra,  a cornercorner with one O(3)Na2Ni3 square pyramid, corners with three equivalent O(6)Na2Ni3 square pyramids, corners with four equivalent O(2)Na2Ni3 square pyramids, edges with two equivalent O(1)Na3Ni3 octahedra, edges with two equivalent O(4)Na3Ni3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid, and  an edgeedge with one O(3)Na2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 7°. In the fourth O site, O(4) is bonded to one Na(3), two equivalent Na(1), one Ni(1), one Ni(2), and one Ni(3) atom to form ONa3Ni3 octahedra that share  a cornercorner with one O(1)Na3Ni3 octahedra, corners with two equivalent O(5)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid, corners with two equivalent O(6)Na2Ni3 square pyramids,  an edgeedge with one O(4)Na3Ni3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(1)Na3Ni3 octahedra, edges with two equivalent O(2)Na2Ni3 square pyramids, edges with two equivalent O(3)Na2Ni3 square pyramids, and edges with two equivalent O(6)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Na(3), one Ni(2), and two equivalent Ni(1) atoms to form ONa3Ni3 octahedra that share  a cornercorner with one O(5)Na3Ni3 octahedra, corners with two equivalent O(1)Na3Ni3 octahedra, corners with two equivalent O(4)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(5)Na3Ni3 octahedra, edges with two equivalent O(1)Na3Ni3 octahedra, edges with two equivalent O(4)Na3Ni3 octahedra, edges with two equivalent O(2)Na2Ni3 square pyramids, edges with two equivalent O(3)Na2Ni3 square pyramids, and edges with three equivalent O(6)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(6) is bonded to one Na(1), one Na(3), one Ni(1), and two equivalent Ni(2) atoms to form ONa2Ni3 square pyramids that share corners with two equivalent O(1)Na3Ni3 octahedra, corners with two equivalent O(4)Na3Ni3 octahedra, corners with two equivalent O(2)Na2Ni3 square pyramids, corners with three equivalent O(3)Na2Ni3 square pyramids, edges with two equivalent O(1)Na3Ni3 octahedra, edges with two equivalent O(4)Na3Ni3 octahedra, edges with three equivalent O(5)Na3Ni3 octahedra, and  an edgeedge with one O(6)Na2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 1-5°. is represented by the CIF card [CIF]
data_Na5(NiO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.906
_cell_length_b   6.779
_cell_length_c   6.825
_cell_angle_alpha   66.799
_cell_angle_beta   76.680
_cell_angle_gamma   66.932
_symmetry_Int_Tables_number   1
_cell_volume   230.123
_cell_formula_units_Z   1
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  0.321  0.177  0.826  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Na  Na2  1  0.838  0.186  0.817  1.0
  Na  Na3  1  0.162  0.814  0.183  1.0
  Na  Na4  1  0.679  0.823  0.174  1.0
  Ni  Ni5  1  0.582  0.668  0.833  1.0
  Ni  Ni6  1  0.081  0.668  0.833  1.0
  Ni  Ni7  1  0.248  0.002  0.502  1.0
  Ni  Ni8  1  0.418  0.332  0.167  1.0
  Ni  Ni9  1  0.752  0.998  0.498  1.0
  Ni  Ni10  1  0.919  0.332  0.167  1.0
  O  O11  1  0.210  0.896  0.804  1.0
  O  O12  1  0.409  0.213  0.469  1.0
  O  O13  1  0.100  0.786  0.531  1.0
  O  O14  1  0.710  0.897  0.800  1.0
  O  O15  1  0.551  0.556  0.139  1.0
  O  O16  1  0.290  0.103  0.200  1.0
  O  O17  1  0.900  0.214  0.469  1.0
  O  O18  1  0.591  0.787  0.531  1.0
  O  O19  1  0.449  0.444  0.861  1.0
  O  O20  1  0.055  0.553  0.134  1.0
  O  O21  1  0.790  0.104  0.196  1.0
  O  O22  1  0.945  0.447  0.866  1.0
[/CIF]
.