The compound described by Na3(NiO2)5 crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(9) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(5), and one O(6) atom. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(9) atom to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form edge-sharing NiO6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form edge-sharing NiO6 octahedra. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form edge-sharing NiO6 octahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Na(3), one Ni(2), one Ni(4), and one Ni(5) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the second O site, O(2) is bonded to one Na(2), one Na(3), one Ni(3), one Ni(4), and one Ni(5) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Ni(2), one Ni(4), and one Ni(5) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the fourth O site, O(4) is bonded to one Na(1), one Na(3), one Ni(3), one Ni(4), and one Ni(5) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the fifth O site, O(5) is bonded to one Na(2), one Na(3), one Ni(1), one Ni(2), and one Ni(4) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the sixth O site, O(6) is bonded to one Na(2), one Na(3), one Ni(1), one Ni(3), and one Ni(5) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Na(1), one Ni(1), one Ni(2), and one Ni(4) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Na(1), one Ni(1), one Ni(3), and one Ni(5) atom. In the ninth O site, O(9) is bonded to one Na(1), one Na(2), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the tenth O site, O(10) is bonded to one Na(1), one Na(3), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.858
_cell_length_b   6.324
_cell_length_c   6.914
_cell_angle_alpha   110.046
_cell_angle_beta   96.106
_cell_angle_gamma   103.951
_symmetry_Int_Tables_number   1
_cell_volume   189.439
_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  0.601  0.699  0.200  1.0
  Na  Na1  1  0.394  0.302  0.811  1.0
  Na  Na2  1  0.807  0.098  0.589  1.0
  Ni  Ni3  1  0.600  0.200  0.200  1.0
  Ni  Ni4  1  0.997  0.997  0.998  1.0
  Ni  Ni5  1  0.203  0.403  0.402  1.0
  Ni  Ni6  1  0.400  0.800  0.797  1.0
  Ni  Ni7  1  0.799  0.600  0.603  1.0
  O  O8  1  0.088  0.907  0.727  1.0
  O  O9  1  0.112  0.494  0.673  1.0
  O  O10  1  0.688  0.675  0.864  1.0
  O  O11  1  0.512  0.725  0.536  1.0
  O  O12  1  0.682  0.092  0.904  1.0
  O  O13  1  0.518  0.308  0.497  1.0
  O  O14  1  0.314  0.893  0.067  1.0
  O  O15  1  0.885  0.506  0.333  1.0
  O  O16  1  0.307  0.324  0.139  1.0
  O  O17  1  0.893  0.076  0.261  1.0
[/CIF]
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The compound described by Na3(NiO2)5 crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(9) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(5), and one O(6) atom. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(9) atom to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form edge-sharing NiO6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form edge-sharing NiO6 octahedra. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form edge-sharing NiO6 octahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Na(3), one Ni(2), one Ni(4), and one Ni(5) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the second O site, O(2) is bonded to one Na(2), one Na(3), one Ni(3), one Ni(4), and one Ni(5) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Ni(2), one Ni(4), and one Ni(5) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the fourth O site, O(4) is bonded to one Na(1), one Na(3), one Ni(3), one Ni(4), and one Ni(5) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the fifth O site, O(5) is bonded to one Na(2), one Na(3), one Ni(1), one Ni(2), and one Ni(4) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the sixth O site, O(6) is bonded to one Na(2), one Na(3), one Ni(1), one Ni(3), and one Ni(5) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Na(1), one Ni(1), one Ni(2), and one Ni(4) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Na(1), one Ni(1), one Ni(3), and one Ni(5) atom. In the ninth O site, O(9) is bonded to one Na(1), one Na(2), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. In the tenth O site, O(10) is bonded to one Na(1), one Na(3), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing ONa2Ni3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.858
_cell_length_b   6.324
_cell_length_c   6.914
_cell_angle_alpha   110.046
_cell_angle_beta   96.106
_cell_angle_gamma   103.951
_symmetry_Int_Tables_number   1
_cell_volume   189.439
_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  0.601  0.699  0.200  1.0
  Na  Na1  1  0.394  0.302  0.811  1.0
  Na  Na2  1  0.807  0.098  0.589  1.0
  Ni  Ni3  1  0.600  0.200  0.200  1.0
  Ni  Ni4  1  0.997  0.997  0.998  1.0
  Ni  Ni5  1  0.203  0.403  0.402  1.0
  Ni  Ni6  1  0.400  0.800  0.797  1.0
  Ni  Ni7  1  0.799  0.600  0.603  1.0
  O  O8  1  0.088  0.907  0.727  1.0
  O  O9  1  0.112  0.494  0.673  1.0
  O  O10  1  0.688  0.675  0.864  1.0
  O  O11  1  0.512  0.725  0.536  1.0
  O  O12  1  0.682  0.092  0.904  1.0
  O  O13  1  0.518  0.308  0.497  1.0
  O  O14  1  0.314  0.893  0.067  1.0
  O  O15  1  0.885  0.506  0.333  1.0
  O  O16  1  0.307  0.324  0.139  1.0
  O  O17  1  0.893  0.076  0.261  1.0
[/CIF]
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