The structure described by Li2(NiO2)3 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-50°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-45°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-45°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of distorted edge and corner-sharing OLi2Ni3 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OLi2Ni3 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of distorted edge and corner-sharing OLi2Ni3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OLi2Ni3 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OLi2Ni3 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), 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 file [CIF]
data_Li2(NiO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.892
_cell_length_b   4.892
_cell_length_c   10.201
_cell_angle_alpha   76.176
_cell_angle_beta   76.176
_cell_angle_gamma   61.452
_symmetry_Int_Tables_number   1
_cell_volume   205.993
_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  0.591  0.414  0.243  1.0
  Li  Li1  1  0.757  0.915  0.743  1.0
  Li  Li2  1  0.414  0.591  0.743  1.0
  Li  Li3  1  0.915  0.757  0.243  1.0
  Ni  Ni4  1  0.497  0.333  0.503  1.0
  Ni  Ni5  1  0.667  0.831  0.002  1.0
  Ni  Ni6  1  0.169  0.003  0.493  1.0
  Ni  Ni7  1  0.333  0.497  0.003  1.0
  Ni  Ni8  1  0.831  0.667  0.502  1.0
  Ni  Ni9  1  0.003  0.169  0.993  1.0
  O  O10  1  0.018  0.863  0.893  1.0
  O  O11  1  0.484  0.939  0.606  1.0
  O  O12  1  0.199  0.377  0.400  1.0
  O  O13  1  0.312  0.776  0.105  1.0
  O  O14  1  0.115  0.661  0.602  1.0
  O  O15  1  0.377  0.199  0.900  1.0
  O  O16  1  0.939  0.484  0.106  1.0
  O  O17  1  0.776  0.312  0.605  1.0
  O  O18  1  0.565  0.689  0.393  1.0
  O  O19  1  0.661  0.115  0.102  1.0
  O  O20  1  0.689  0.565  0.893  1.0
  O  O21  1  0.863  0.018  0.393  1.0
[/CIF]
.
The structure described by Li2(NiO2)3 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-50°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-45°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-45°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of distorted edge and corner-sharing OLi2Ni3 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OLi2Ni3 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of distorted edge and corner-sharing OLi2Ni3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OLi2Ni3 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OLi2Ni3 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), 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 file [CIF]
data_Li2(NiO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.892
_cell_length_b   4.892
_cell_length_c   10.201
_cell_angle_alpha   76.176
_cell_angle_beta   76.176
_cell_angle_gamma   61.452
_symmetry_Int_Tables_number   1
_cell_volume   205.993
_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  0.591  0.414  0.243  1.0
  Li  Li1  1  0.757  0.915  0.743  1.0
  Li  Li2  1  0.414  0.591  0.743  1.0
  Li  Li3  1  0.915  0.757  0.243  1.0
  Ni  Ni4  1  0.497  0.333  0.503  1.0
  Ni  Ni5  1  0.667  0.831  0.002  1.0
  Ni  Ni6  1  0.169  0.003  0.493  1.0
  Ni  Ni7  1  0.333  0.497  0.003  1.0
  Ni  Ni8  1  0.831  0.667  0.502  1.0
  Ni  Ni9  1  0.003  0.169  0.993  1.0
  O  O10  1  0.018  0.863  0.893  1.0
  O  O11  1  0.484  0.939  0.606  1.0
  O  O12  1  0.199  0.377  0.400  1.0
  O  O13  1  0.312  0.776  0.105  1.0
  O  O14  1  0.115  0.661  0.602  1.0
  O  O15  1  0.377  0.199  0.900  1.0
  O  O16  1  0.939  0.484  0.106  1.0
  O  O17  1  0.776  0.312  0.605  1.0
  O  O18  1  0.565  0.689  0.393  1.0
  O  O19  1  0.661  0.115  0.102  1.0
  O  O20  1  0.689  0.565  0.893  1.0
  O  O21  1  0.863  0.018  0.393  1.0
[/CIF]
.