The structure described by Li2(NiO2)5 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form edge-sharing NiO6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(2), and two equivalent Ni(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Ni(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Ni(2), and two equivalent Ni(3) atoms to form distorted edge-sharing OLiNi3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(2), and one Ni(3) atom. is represented by the CIF file [CIF]
data_Li2(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.958
_cell_length_b   5.880
_cell_length_c   7.411
_cell_angle_alpha   69.906
_cell_angle_beta   71.340
_cell_angle_gamma   65.494
_symmetry_Int_Tables_number   1
_cell_volume   180.594
_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
  Li  Li0  1  0.256  0.555  0.278  1.0
  Li  Li1  1  0.744  0.445  0.722  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.397  0.004  0.199  1.0
  Ni  Ni4  1  0.199  0.996  0.602  1.0
  Ni  Ni5  1  0.801  0.004  0.398  1.0
  Ni  Ni6  1  0.603  0.996  0.801  1.0
  O  O7  1  0.196  0.809  0.438  1.0
  O  O8  1  0.836  0.805  0.238  1.0
  O  O9  1  0.394  0.813  0.045  1.0
  O  O10  1  0.393  0.186  0.366  1.0
  O  O11  1  0.038  0.802  0.834  1.0
  O  O12  1  0.962  0.198  0.166  1.0
  O  O13  1  0.607  0.814  0.634  1.0
  O  O14  1  0.606  0.187  0.955  1.0
  O  O15  1  0.164  0.195  0.762  1.0
  O  O16  1  0.804  0.191  0.562  1.0
[/CIF]
.
The structure described by Li2(NiO2)5 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form edge-sharing NiO6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(2), and two equivalent Ni(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Ni(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Ni(2), and two equivalent Ni(3) atoms to form distorted edge-sharing OLiNi3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(2), and one Ni(3) atom. is represented by the CIF file [CIF]
data_Li2(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.958
_cell_length_b   5.880
_cell_length_c   7.411
_cell_angle_alpha   69.906
_cell_angle_beta   71.340
_cell_angle_gamma   65.494
_symmetry_Int_Tables_number   1
_cell_volume   180.594
_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
  Li  Li0  1  0.256  0.555  0.278  1.0
  Li  Li1  1  0.744  0.445  0.722  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.397  0.004  0.199  1.0
  Ni  Ni4  1  0.199  0.996  0.602  1.0
  Ni  Ni5  1  0.801  0.004  0.398  1.0
  Ni  Ni6  1  0.603  0.996  0.801  1.0
  O  O7  1  0.196  0.809  0.438  1.0
  O  O8  1  0.836  0.805  0.238  1.0
  O  O9  1  0.394  0.813  0.045  1.0
  O  O10  1  0.393  0.186  0.366  1.0
  O  O11  1  0.038  0.802  0.834  1.0
  O  O12  1  0.962  0.198  0.166  1.0
  O  O13  1  0.607  0.814  0.634  1.0
  O  O14  1  0.606  0.187  0.955  1.0
  O  O15  1  0.164  0.195  0.762  1.0
  O  O16  1  0.804  0.191  0.562  1.0
[/CIF]
.