The material described by Na4(NiO2)5 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-21°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with three equivalent Na(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-21°. In the third Ni site, Ni(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. There are five inequivalent O sites. In the first O site, O(1) 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 corners with two equivalent O(5)Na3Ni3 octahedra, corners with three equivalent O(4)Na2Ni3 square pyramids, corners with four equivalent O(2)Na2Ni3 square pyramids, edges with three equivalent O(3)Na3Ni3 octahedra, edges with three equivalent O(5)Na3Ni3 octahedra,  an edgeedge with one O(1)Na2Ni3 square pyramid, and  an edgeedge with one O(4)Na2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 3-8°. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Ni(2), and two equivalent Ni(1) atoms to form ONa2Ni3 square pyramids that share  a cornercorner with one O(3)Na3Ni3 octahedra,  a cornercorner with one O(5)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid, corners with two equivalent O(4)Na2Ni3 square pyramids, corners with four equivalent O(1)Na2Ni3 square pyramids, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(3)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid, and edges with two equivalent O(4)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 2-8°. In the third O site, O(3) is bonded to one Na(2), 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(3)Na3Ni3 octahedra, corners with two equivalent O(5)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid, corners with two equivalent O(4)Na2Ni3 square pyramids,  an edgeedge with one O(3)Na3Ni3 octahedra, edges with three equivalent O(5)Na3Ni3 octahedra, edges with two equivalent O(4)Na2Ni3 square pyramids, edges with three equivalent O(1)Na2Ni3 square pyramids, and edges with three equivalent O(2)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 0-10°. In the fourth O site, O(4) is bonded to two equivalent Na(2), one Ni(1), one Ni(2), and one Ni(3) atom to form ONa2Ni3 square pyramids that share  a cornercorner with one O(5)Na3Ni3 octahedra, corners with two equivalent O(3)Na3Ni3 octahedra,  a cornercorner with one O(4)Na2Ni3 square pyramid, corners with two equivalent O(2)Na2Ni3 square pyramids, corners with three equivalent O(1)Na2Ni3 square pyramids, edges with two equivalent O(3)Na3Ni3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra,  an edgeedge with one O(1)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid, and edges with two equivalent O(2)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth O site, O(5) is bonded to one Na(2), two equivalent Na(1), one Ni(1), and two equivalent Ni(3) atoms to form ONa3Ni3 octahedra that share corners with two equivalent O(3)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(4)Na2Ni3 square pyramid, corners with two equivalent O(1)Na2Ni3 square pyramids, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(3)Na3Ni3 octahedra, edges with two equivalent O(2)Na2Ni3 square pyramids, edges with two equivalent O(4)Na2Ni3 square pyramids, and edges with three equivalent O(1)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 5-10°. is represented by the CIF file [CIF]
data_Na4(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   6.239
_cell_length_c   6.824
_cell_angle_alpha   109.786
_cell_angle_beta   96.369
_cell_angle_gamma   106.107
_symmetry_Int_Tables_number   1
_cell_volume   191.406
_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  0.815  0.621  0.625  1.0
  Na  Na1  1  0.185  0.379  0.375  1.0
  Na  Na2  1  0.600  0.193  0.189  1.0
  Na  Na3  1  0.400  0.807  0.811  1.0
  Ni  Ni4  1  0.399  0.301  0.796  1.0
  Ni  Ni5  1  0.601  0.699  0.204  1.0
  Ni  Ni6  1  1.000  0.500  1.000  1.0
  Ni  Ni7  1  0.797  0.098  0.598  1.0
  Ni  Ni8  1  0.203  0.902  0.402  1.0
  O  O9  1  0.871  0.011  0.326  1.0
  O  O10  1  0.129  0.989  0.674  1.0
  O  O11  1  0.671  0.615  0.927  1.0
  O  O12  1  0.329  0.385  0.073  1.0
  O  O13  1  0.898  0.593  0.288  1.0
  O  O14  1  0.102  0.407  0.712  1.0
  O  O15  1  0.689  0.183  0.860  1.0
  O  O16  1  0.311  0.817  0.140  1.0
  O  O17  1  0.482  0.223  0.522  1.0
  O  O18  1  0.518  0.777  0.478  1.0
[/CIF]
.
The material described by Na4(NiO2)5 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-21°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with three equivalent Na(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-21°. In the third Ni site, Ni(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. There are five inequivalent O sites. In the first O site, O(1) 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 corners with two equivalent O(5)Na3Ni3 octahedra, corners with three equivalent O(4)Na2Ni3 square pyramids, corners with four equivalent O(2)Na2Ni3 square pyramids, edges with three equivalent O(3)Na3Ni3 octahedra, edges with three equivalent O(5)Na3Ni3 octahedra,  an edgeedge with one O(1)Na2Ni3 square pyramid, and  an edgeedge with one O(4)Na2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 3-8°. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Ni(2), and two equivalent Ni(1) atoms to form ONa2Ni3 square pyramids that share  a cornercorner with one O(3)Na3Ni3 octahedra,  a cornercorner with one O(5)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid, corners with two equivalent O(4)Na2Ni3 square pyramids, corners with four equivalent O(1)Na2Ni3 square pyramids, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(3)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid, and edges with two equivalent O(4)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 2-8°. In the third O site, O(3) is bonded to one Na(2), 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(3)Na3Ni3 octahedra, corners with two equivalent O(5)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid, corners with two equivalent O(4)Na2Ni3 square pyramids,  an edgeedge with one O(3)Na3Ni3 octahedra, edges with three equivalent O(5)Na3Ni3 octahedra, edges with two equivalent O(4)Na2Ni3 square pyramids, edges with three equivalent O(1)Na2Ni3 square pyramids, and edges with three equivalent O(2)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 0-10°. In the fourth O site, O(4) is bonded to two equivalent Na(2), one Ni(1), one Ni(2), and one Ni(3) atom to form ONa2Ni3 square pyramids that share  a cornercorner with one O(5)Na3Ni3 octahedra, corners with two equivalent O(3)Na3Ni3 octahedra,  a cornercorner with one O(4)Na2Ni3 square pyramid, corners with two equivalent O(2)Na2Ni3 square pyramids, corners with three equivalent O(1)Na2Ni3 square pyramids, edges with two equivalent O(3)Na3Ni3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra,  an edgeedge with one O(1)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid, and edges with two equivalent O(2)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth O site, O(5) is bonded to one Na(2), two equivalent Na(1), one Ni(1), and two equivalent Ni(3) atoms to form ONa3Ni3 octahedra that share corners with two equivalent O(3)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(4)Na2Ni3 square pyramid, corners with two equivalent O(1)Na2Ni3 square pyramids, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(3)Na3Ni3 octahedra, edges with two equivalent O(2)Na2Ni3 square pyramids, edges with two equivalent O(4)Na2Ni3 square pyramids, and edges with three equivalent O(1)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 5-10°. is represented by the CIF file [CIF]
data_Na4(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   6.239
_cell_length_c   6.824
_cell_angle_alpha   109.786
_cell_angle_beta   96.369
_cell_angle_gamma   106.107
_symmetry_Int_Tables_number   1
_cell_volume   191.406
_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  0.815  0.621  0.625  1.0
  Na  Na1  1  0.185  0.379  0.375  1.0
  Na  Na2  1  0.600  0.193  0.189  1.0
  Na  Na3  1  0.400  0.807  0.811  1.0
  Ni  Ni4  1  0.399  0.301  0.796  1.0
  Ni  Ni5  1  0.601  0.699  0.204  1.0
  Ni  Ni6  1  1.000  0.500  1.000  1.0
  Ni  Ni7  1  0.797  0.098  0.598  1.0
  Ni  Ni8  1  0.203  0.902  0.402  1.0
  O  O9  1  0.871  0.011  0.326  1.0
  O  O10  1  0.129  0.989  0.674  1.0
  O  O11  1  0.671  0.615  0.927  1.0
  O  O12  1  0.329  0.385  0.073  1.0
  O  O13  1  0.898  0.593  0.288  1.0
  O  O14  1  0.102  0.407  0.712  1.0
  O  O15  1  0.689  0.183  0.860  1.0
  O  O16  1  0.311  0.817  0.140  1.0
  O  O17  1  0.482  0.223  0.522  1.0
  O  O18  1  0.518  0.777  0.478  1.0
[/CIF]
.