The material structure described by Li4(NiO2)5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) 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(5) atoms to form edge-sharing NiO6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Ni(3), and two equivalent Ni(2) atoms to form OLi2Ni3 trigonal bipyramids that share corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids, corners with two equivalent O(5)LiNi3 tetrahedra,  a cornercorner with one O(1)Li2Ni3 trigonal bipyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(5)LiNi3 tetrahedra, and edges with two equivalent O(1)Li2Ni3 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 OLi2Ni3 square pyramids that share  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(3)Li2Ni3 square pyramid, corners with three equivalent O(5)LiNi3 tetrahedra, corners with two equivalent O(1)Li2Ni3 trigonal bipyramids, edges with two equivalent O(3)Li2Ni3 square pyramids,  an edgeedge with one O(5)LiNi3 tetrahedra, and edges with two equivalent O(1)Li2Ni3 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ni(2), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(2)Li2Ni3 square pyramid, corners with two equivalent O(5)LiNi3 tetrahedra, corners with two equivalent O(1)Li2Ni3 trigonal bipyramids,  an edgeedge with one O(3)Li2Ni3 square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(5)LiNi3 tetrahedra, and  an edgeedge with one O(1)Li2Ni3 trigonal bipyramid. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(2), and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded to one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLiNi3 tetrahedra that share corners with two equivalent O(3)Li2Ni3 square pyramids, corners with three equivalent O(2)Li2Ni3 square pyramids,  a cornercorner with one O(5)LiNi3 tetrahedra, corners with two equivalent O(1)Li2Ni3 trigonal bipyramids,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid, and  an edgeedge with one O(1)Li2Ni3 trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.007
_cell_length_b   4.988
_cell_length_c   5.691
_cell_angle_alpha   64.254
_cell_angle_beta   112.597
_cell_angle_gamma   87.296
_symmetry_Int_Tables_number   1
_cell_volume   182.621
_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  0.247  0.234  0.810  1.0
  Li  Li1  1  0.058  0.848  0.616  1.0
  Li  Li2  1  0.742  0.752  0.184  1.0
  Li  Li3  1  0.554  0.366  0.991  1.0
  Ni  Ni4  1  0.997  0.003  0.996  1.0
  Ni  Ni5  1  0.199  0.398  0.204  1.0
  Ni  Ni6  1  0.601  0.202  0.597  1.0
  Ni  Ni7  1  0.400  0.800  0.400  1.0
  Ni  Ni8  1  0.803  0.598  0.804  1.0
  O  O9  1  0.418  0.211  0.216  1.0
  O  O10  1  0.212  0.820  0.003  1.0
  O  O11  1  0.023  0.420  0.814  1.0
  O  O12  1  0.382  0.389  0.584  1.0
  O  O13  1  0.829  0.010  0.635  1.0
  O  O14  1  0.169  0.985  0.357  1.0
  O  O15  1  0.631  0.615  0.443  1.0
  O  O16  1  0.971  0.589  0.166  1.0
  O  O17  1  0.777  0.181  0.986  1.0
  O  O18  1  0.588  0.780  0.797  1.0
[/CIF]
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The material structure described by Li4(NiO2)5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) 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(5) atoms to form edge-sharing NiO6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Ni(3), and two equivalent Ni(2) atoms to form OLi2Ni3 trigonal bipyramids that share corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids, corners with two equivalent O(5)LiNi3 tetrahedra,  a cornercorner with one O(1)Li2Ni3 trigonal bipyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(5)LiNi3 tetrahedra, and edges with two equivalent O(1)Li2Ni3 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 OLi2Ni3 square pyramids that share  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(3)Li2Ni3 square pyramid, corners with three equivalent O(5)LiNi3 tetrahedra, corners with two equivalent O(1)Li2Ni3 trigonal bipyramids, edges with two equivalent O(3)Li2Ni3 square pyramids,  an edgeedge with one O(5)LiNi3 tetrahedra, and edges with two equivalent O(1)Li2Ni3 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ni(2), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(2)Li2Ni3 square pyramid, corners with two equivalent O(5)LiNi3 tetrahedra, corners with two equivalent O(1)Li2Ni3 trigonal bipyramids,  an edgeedge with one O(3)Li2Ni3 square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(5)LiNi3 tetrahedra, and  an edgeedge with one O(1)Li2Ni3 trigonal bipyramid. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(2), and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded to one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLiNi3 tetrahedra that share corners with two equivalent O(3)Li2Ni3 square pyramids, corners with three equivalent O(2)Li2Ni3 square pyramids,  a cornercorner with one O(5)LiNi3 tetrahedra, corners with two equivalent O(1)Li2Ni3 trigonal bipyramids,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid, and  an edgeedge with one O(1)Li2Ni3 trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.007
_cell_length_b   4.988
_cell_length_c   5.691
_cell_angle_alpha   64.254
_cell_angle_beta   112.597
_cell_angle_gamma   87.296
_symmetry_Int_Tables_number   1
_cell_volume   182.621
_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  0.247  0.234  0.810  1.0
  Li  Li1  1  0.058  0.848  0.616  1.0
  Li  Li2  1  0.742  0.752  0.184  1.0
  Li  Li3  1  0.554  0.366  0.991  1.0
  Ni  Ni4  1  0.997  0.003  0.996  1.0
  Ni  Ni5  1  0.199  0.398  0.204  1.0
  Ni  Ni6  1  0.601  0.202  0.597  1.0
  Ni  Ni7  1  0.400  0.800  0.400  1.0
  Ni  Ni8  1  0.803  0.598  0.804  1.0
  O  O9  1  0.418  0.211  0.216  1.0
  O  O10  1  0.212  0.820  0.003  1.0
  O  O11  1  0.023  0.420  0.814  1.0
  O  O12  1  0.382  0.389  0.584  1.0
  O  O13  1  0.829  0.010  0.635  1.0
  O  O14  1  0.169  0.985  0.357  1.0
  O  O15  1  0.631  0.615  0.443  1.0
  O  O16  1  0.971  0.589  0.166  1.0
  O  O17  1  0.777  0.181  0.986  1.0
  O  O18  1  0.588  0.780  0.797  1.0
[/CIF]
.