The material described by Li3(NiO2)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. 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(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. There are four 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(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Ni site, Ni(3) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi2Ni3 square pyramids that share corners with three equivalent O(4)Li3Ni3 octahedra,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share corners with three equivalent O(3)Li3Ni3 octahedra,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(1)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(4)Li3Ni3 octahedra, corners with three equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid, edges with two equivalent O(1)Li2Ni3 square pyramids, edges with two equivalent O(5)Li2Ni3 square pyramids, edges with two equivalent O(6)Li2Ni3 square pyramids, edges with two equivalent O(7)Li2Ni3 square pyramids, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 3°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(3)Li3Ni3 octahedra, corners with three equivalent O(1)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(5)Li2Ni3 square pyramids, edges with two equivalent O(6)Li2Ni3 square pyramids, edges with two equivalent O(7)Li2Ni3 square pyramids, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 3°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with two equivalent O(8)Li2Ni3 square pyramids, corners with four equivalent O(7)Li2Ni3 square pyramids, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid, corners with two equivalent O(7)Li2Ni3 square pyramids, corners with four equivalent O(8)Li2Ni3 square pyramids, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(6)Li2Ni3 square pyramids, corners with four equivalent O(5)Li2Ni3 square pyramids, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the eighth O site, O(8) 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(1)Li2Ni3 square pyramid,  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids, corners with four equivalent O(6)Li2Ni3 square pyramids, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.006
_cell_length_b   5.741
_cell_length_c   5.627
_cell_angle_alpha   119.347
_cell_angle_beta   89.995
_cell_angle_gamma   107.864
_symmetry_Int_Tables_number   1
_cell_volume   131.955
_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  1.000  1.000  0.996  1.0
  Li  Li1  1  0.998  0.503  0.001  1.0
  Li  Li2  1  0.003  0.498  0.498  1.0
  Ni  Ni3  1  0.500  1.000  0.252  1.0
  Ni  Ni4  1  0.508  0.504  0.253  1.0
  Ni  Ni5  1  0.491  0.496  0.749  1.0
  Ni  Ni6  1  0.500  0.000  0.748  1.0
  O  O7  1  0.296  0.742  0.385  1.0
  O  O8  1  0.704  0.258  0.642  1.0
  O  O9  1  0.282  0.747  0.860  1.0
  O  O10  1  0.718  0.252  0.112  1.0
  O  O11  1  0.277  0.287  0.903  1.0
  O  O12  1  0.284  0.277  0.380  1.0
  O  O13  1  0.723  0.713  0.616  1.0
  O  O14  1  0.716  0.722  0.103  1.0
[/CIF]
.
The material described by Li3(NiO2)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. 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(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. There are four 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(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Ni site, Ni(3) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi2Ni3 square pyramids that share corners with three equivalent O(4)Li3Ni3 octahedra,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share corners with three equivalent O(3)Li3Ni3 octahedra,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(1)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(4)Li3Ni3 octahedra, corners with three equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid, edges with two equivalent O(1)Li2Ni3 square pyramids, edges with two equivalent O(5)Li2Ni3 square pyramids, edges with two equivalent O(6)Li2Ni3 square pyramids, edges with two equivalent O(7)Li2Ni3 square pyramids, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 3°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(3)Li3Ni3 octahedra, corners with three equivalent O(1)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(5)Li2Ni3 square pyramids, edges with two equivalent O(6)Li2Ni3 square pyramids, edges with two equivalent O(7)Li2Ni3 square pyramids, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 3°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with two equivalent O(8)Li2Ni3 square pyramids, corners with four equivalent O(7)Li2Ni3 square pyramids, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid, corners with two equivalent O(7)Li2Ni3 square pyramids, corners with four equivalent O(8)Li2Ni3 square pyramids, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(6)Li2Ni3 square pyramids, corners with four equivalent O(5)Li2Ni3 square pyramids, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the eighth O site, O(8) 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(1)Li2Ni3 square pyramid,  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids, corners with four equivalent O(6)Li2Ni3 square pyramids, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.006
_cell_length_b   5.741
_cell_length_c   5.627
_cell_angle_alpha   119.347
_cell_angle_beta   89.995
_cell_angle_gamma   107.864
_symmetry_Int_Tables_number   1
_cell_volume   131.955
_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  1.000  1.000  0.996  1.0
  Li  Li1  1  0.998  0.503  0.001  1.0
  Li  Li2  1  0.003  0.498  0.498  1.0
  Ni  Ni3  1  0.500  1.000  0.252  1.0
  Ni  Ni4  1  0.508  0.504  0.253  1.0
  Ni  Ni5  1  0.491  0.496  0.749  1.0
  Ni  Ni6  1  0.500  0.000  0.748  1.0
  O  O7  1  0.296  0.742  0.385  1.0
  O  O8  1  0.704  0.258  0.642  1.0
  O  O9  1  0.282  0.747  0.860  1.0
  O  O10  1  0.718  0.252  0.112  1.0
  O  O11  1  0.277  0.287  0.903  1.0
  O  O12  1  0.284  0.277  0.380  1.0
  O  O13  1  0.723  0.713  0.616  1.0
  O  O14  1  0.716  0.722  0.103  1.0
[/CIF]
.