The structure described by Li2(NiO2)3 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1) and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), and two equivalent Ni(2) atoms to form a mixture of distorted edge and corner-sharing OLi2Ni3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2(NiO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.982
_cell_length_b   4.982
_cell_length_c   10.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.544
_symmetry_Int_Tables_number   1
_cell_volume   216.045
_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  0.660  0.160  0.750  1.0
  Li  Li1  1  0.840  0.340  0.250  1.0
  Li  Li2  1  0.160  0.660  0.750  1.0
  Li  Li3  1  0.340  0.840  0.250  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  0.665  0.335  0.000  1.0
  Ni  Ni7  1  0.165  0.835  0.500  1.0
  Ni  Ni8  1  0.835  0.165  0.500  1.0
  Ni  Ni9  1  0.335  0.665  0.000  1.0
  O  O10  1  0.171  0.171  0.596  1.0
  O  O11  1  0.329  0.329  0.096  1.0
  O  O12  1  0.671  0.671  0.904  1.0
  O  O13  1  0.341  0.991  0.900  1.0
  O  O14  1  0.829  0.829  0.404  1.0
  O  O15  1  0.509  0.159  0.400  1.0
  O  O16  1  0.841  0.491  0.600  1.0
  O  O17  1  0.009  0.659  0.100  1.0
  O  O18  1  0.659  0.009  0.100  1.0
  O  O19  1  0.991  0.341  0.900  1.0
  O  O20  1  0.159  0.509  0.400  1.0
  O  O21  1  0.491  0.841  0.600  1.0
[/CIF]
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The structure described by Li2(NiO2)3 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1) and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), and two equivalent Ni(2) atoms to form a mixture of distorted edge and corner-sharing OLi2Ni3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2(NiO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.982
_cell_length_b   4.982
_cell_length_c   10.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.544
_symmetry_Int_Tables_number   1
_cell_volume   216.045
_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  0.660  0.160  0.750  1.0
  Li  Li1  1  0.840  0.340  0.250  1.0
  Li  Li2  1  0.160  0.660  0.750  1.0
  Li  Li3  1  0.340  0.840  0.250  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  0.665  0.335  0.000  1.0
  Ni  Ni7  1  0.165  0.835  0.500  1.0
  Ni  Ni8  1  0.835  0.165  0.500  1.0
  Ni  Ni9  1  0.335  0.665  0.000  1.0
  O  O10  1  0.171  0.171  0.596  1.0
  O  O11  1  0.329  0.329  0.096  1.0
  O  O12  1  0.671  0.671  0.904  1.0
  O  O13  1  0.341  0.991  0.900  1.0
  O  O14  1  0.829  0.829  0.404  1.0
  O  O15  1  0.509  0.159  0.400  1.0
  O  O16  1  0.841  0.491  0.600  1.0
  O  O17  1  0.009  0.659  0.100  1.0
  O  O18  1  0.659  0.009  0.100  1.0
  O  O19  1  0.991  0.341  0.900  1.0
  O  O20  1  0.159  0.509  0.400  1.0
  O  O21  1  0.491  0.841  0.600  1.0
[/CIF]
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