The crystal structure described by Li2(NiO2)3 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(2), and one Ni(3) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OLi2Ni3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of distorted edge and corner-sharing OLi2Ni3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2(NiO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.954
_cell_length_b   4.954
_cell_length_c   10.115
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.651
_symmetry_Int_Tables_number   1
_cell_volume   215.770
_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
  Li  Li0  1  0.158  0.656  0.751  1.0
  Li  Li1  1  0.344  0.842  0.249  1.0
  Li  Li2  1  0.658  0.156  0.749  1.0
  Li  Li3  1  0.844  0.342  0.251  1.0
  Ni  Ni4  1  0.002  0.998  0.500  1.0
  Ni  Ni5  1  0.502  0.498  0.000  1.0
  Ni  Ni6  1  0.334  0.666  0.500  1.0
  Ni  Ni7  1  0.834  0.166  0.000  1.0
  Ni  Ni8  1  0.164  0.836  0.000  1.0
  Ni  Ni9  1  0.664  0.336  0.500  1.0
  O  O10  1  0.167  0.170  0.907  1.0
  O  O11  1  0.330  0.333  0.407  1.0
  O  O12  1  0.667  0.670  0.593  1.0
  O  O13  1  0.002  0.350  0.600  1.0
  O  O14  1  0.830  0.833  0.093  1.0
  O  O15  1  0.150  0.498  0.100  1.0
  O  O16  1  0.502  0.850  0.900  1.0
  O  O17  1  0.650  0.998  0.400  1.0
  O  O18  1  0.032  0.673  0.392  1.0
  O  O19  1  0.327  0.968  0.608  1.0
  O  O20  1  0.532  0.173  0.108  1.0
  O  O21  1  0.827  0.468  0.892  1.0
[/CIF]
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The crystal structure described by Li2(NiO2)3 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(2), and one Ni(3) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OLi2Ni3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of distorted edge and corner-sharing OLi2Ni3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2(NiO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.954
_cell_length_b   4.954
_cell_length_c   10.115
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.651
_symmetry_Int_Tables_number   1
_cell_volume   215.770
_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
  Li  Li0  1  0.158  0.656  0.751  1.0
  Li  Li1  1  0.344  0.842  0.249  1.0
  Li  Li2  1  0.658  0.156  0.749  1.0
  Li  Li3  1  0.844  0.342  0.251  1.0
  Ni  Ni4  1  0.002  0.998  0.500  1.0
  Ni  Ni5  1  0.502  0.498  0.000  1.0
  Ni  Ni6  1  0.334  0.666  0.500  1.0
  Ni  Ni7  1  0.834  0.166  0.000  1.0
  Ni  Ni8  1  0.164  0.836  0.000  1.0
  Ni  Ni9  1  0.664  0.336  0.500  1.0
  O  O10  1  0.167  0.170  0.907  1.0
  O  O11  1  0.330  0.333  0.407  1.0
  O  O12  1  0.667  0.670  0.593  1.0
  O  O13  1  0.002  0.350  0.600  1.0
  O  O14  1  0.830  0.833  0.093  1.0
  O  O15  1  0.150  0.498  0.100  1.0
  O  O16  1  0.502  0.850  0.900  1.0
  O  O17  1  0.650  0.998  0.400  1.0
  O  O18  1  0.032  0.673  0.392  1.0
  O  O19  1  0.327  0.968  0.608  1.0
  O  O20  1  0.532  0.173  0.108  1.0
  O  O21  1  0.827  0.468  0.892  1.0
[/CIF]
.