The material described by Li5(NiO2)4 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(14), one O(16), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and  an edgeedge with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-63°. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(3), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-64°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(14), one O(15), one O(7), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(12), one O(15), one O(3), and one O(5) atom to form distorted LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(15), one O(16), one O(7), and one O(9) atom. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(14), one O(16), and one O(7) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(13), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. In the eighth Li site, Li(8) is bonded to one O(14), one O(16), one O(4), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(3), one O(4), and one O(8) atom. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(2), one O(4), one O(5), and one O(6) atom. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted NiO6 octahedra that share corners with two equivalent Ni(6)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-52°. In the second Ni site, Ni(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-53°. In the third Ni site, Ni(3) is bonded to one O(14), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the fourth Ni site, Ni(4) is bonded to one O(16), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-48°. In the fifth Ni site, Ni(5) is bonded to one O(14), one O(16), one O(2), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(11), one O(12), one O(13), one O(3), and one O(5) atom to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the seventh Ni site, Ni(7) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(3) atom to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the eighth Ni site, Ni(8) is bonded to one O(1), one O(10), one O(12), one O(13), one O(15), and one O(5) atom to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), one Ni(6), one Ni(7), and one Ni(8) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(10), one Li(2), one Li(7), one Ni(3), one Ni(4), and one Ni(5) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), one Li(7), one Li(9), one Ni(1), one Ni(6), and one Ni(7) atom. In the fourth O site, O(4) is bonded to one Li(10), one Li(8), one Li(9), one Ni(1), one Ni(3), and one Ni(4) atom to form edge-sharing OLi3Ni3 octahedra. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(7), one Ni(1), one Ni(6), and one Ni(8) atom. In the sixth O site, O(6) is bonded to one Li(10), one Li(7), one Li(8), one Ni(1), one Ni(3), and one Ni(5) atom to form edge-sharing OLi3Ni3 octahedra. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Li(6), one Ni(3), one Ni(4), and one Ni(5) atom to form distorted edge-sharing OLi3Ni3 pentagonal pyramids. In the eighth O site, O(8) is bonded to one Li(7), one Li(8), one Li(9), one Ni(1), one Ni(4), and one Ni(5) atom to form edge-sharing OLi3Ni3 octahedra. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(8), one Ni(2), one Ni(3), and one Ni(4) atom. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(9), one Ni(1), one Ni(7), and one Ni(8) atom. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Li(6), one Ni(2), one Ni(6), and one Ni(7) atom to form edge-sharing OLi3Ni3 octahedra. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Li(6), one Ni(2), one Ni(6), and one Ni(8) atom to form edge-sharing OLi3Ni3 octahedra. In the thirteenth O site, O(13) is bonded to one Li(10), one Li(7), one Li(9), one Ni(6), one Ni(7), and one Ni(8) atom to form distorted edge-sharing OLi3Ni3 pentagonal pyramids. In the fourteenth O site, O(14) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(6), one Li(8), one Ni(2), one Ni(3), and one Ni(5) atom. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(4), one Li(5), one Ni(2), one Ni(7), and one Ni(8) atom to form edge-sharing OLi3Ni3 octahedra. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Li(1), one Li(5), one Li(6), one Li(8), one Ni(2), one Ni(4), and one Ni(5) atom. is represented by the CIF card [CIF]
data_Li5(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.972
_cell_length_b   5.744
_cell_length_c   9.627
_cell_angle_alpha   90.025
_cell_angle_beta   89.991
_cell_angle_gamma   61.425
_symmetry_Int_Tables_number   1
_cell_volume   290.031
_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  0.973  0.011  0.485  1.0
  Li  Li1  1  0.027  0.984  0.985  1.0
  Li  Li2  1  0.198  0.185  0.558  1.0
  Li  Li3  1  0.354  0.323  0.782  1.0
  Li  Li4  1  0.594  0.204  0.545  1.0
  Li  Li5  1  0.204  0.619  0.559  1.0
  Li  Li6  1  0.806  0.384  0.058  1.0
  Li  Li7  1  0.646  0.677  0.282  1.0
  Li  Li8  1  0.408  0.797  0.043  1.0
  Li  Li9  1  0.801  0.817  0.059  1.0
  Ni  Ni10  1  0.331  0.335  0.034  1.0
  Ni  Ni11  1  0.664  0.668  0.533  1.0
  Ni  Ni12  1  0.152  0.177  0.286  1.0
  Ni  Ni13  1  0.643  0.179  0.287  1.0
  Ni  Ni14  1  0.152  0.671  0.286  1.0
  Ni  Ni15  1  0.848  0.329  0.786  1.0
  Ni  Ni16  1  0.360  0.820  0.787  1.0
  Ni  Ni17  1  0.847  0.823  0.786  1.0
  O  O18  1  0.011  0.987  0.681  1.0
  O  O19  1  0.982  0.002  0.182  1.0
  O  O20  1  0.187  0.164  0.914  1.0
  O  O21  1  0.477  0.028  0.158  1.0
  O  O22  1  0.702  0.145  0.902  1.0
  O  O23  1  0.014  0.501  0.168  1.0
  O  O24  1  0.312  0.350  0.399  1.0
  O  O25  1  0.482  0.494  0.156  1.0
  O  O26  1  0.810  0.349  0.412  1.0
  O  O27  1  0.192  0.646  0.914  1.0
  O  O28  1  0.525  0.500  0.657  1.0
  O  O29  1  0.983  0.511  0.667  1.0
  O  O30  1  0.694  0.659  0.901  1.0
  O  O31  1  0.299  0.840  0.405  1.0
  O  O32  1  0.520  0.977  0.655  1.0
  O  O33  1  0.803  0.843  0.412  1.0
[/CIF]
.
The material described by Li5(NiO2)4 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(14), one O(16), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and  an edgeedge with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-63°. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(3), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-64°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(14), one O(15), one O(7), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(12), one O(15), one O(3), and one O(5) atom to form distorted LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(15), one O(16), one O(7), and one O(9) atom. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(14), one O(16), and one O(7) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(13), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. In the eighth Li site, Li(8) is bonded to one O(14), one O(16), one O(4), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(3), one O(4), and one O(8) atom. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(2), one O(4), one O(5), and one O(6) atom. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted NiO6 octahedra that share corners with two equivalent Ni(6)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-52°. In the second Ni site, Ni(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-53°. In the third Ni site, Ni(3) is bonded to one O(14), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the fourth Ni site, Ni(4) is bonded to one O(16), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-48°. In the fifth Ni site, Ni(5) is bonded to one O(14), one O(16), one O(2), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(11), one O(12), one O(13), one O(3), and one O(5) atom to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the seventh Ni site, Ni(7) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(3) atom to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the eighth Ni site, Ni(8) is bonded to one O(1), one O(10), one O(12), one O(13), one O(15), and one O(5) atom to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), one Ni(6), one Ni(7), and one Ni(8) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(10), one Li(2), one Li(7), one Ni(3), one Ni(4), and one Ni(5) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), one Li(7), one Li(9), one Ni(1), one Ni(6), and one Ni(7) atom. In the fourth O site, O(4) is bonded to one Li(10), one Li(8), one Li(9), one Ni(1), one Ni(3), and one Ni(4) atom to form edge-sharing OLi3Ni3 octahedra. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(7), one Ni(1), one Ni(6), and one Ni(8) atom. In the sixth O site, O(6) is bonded to one Li(10), one Li(7), one Li(8), one Ni(1), one Ni(3), and one Ni(5) atom to form edge-sharing OLi3Ni3 octahedra. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Li(6), one Ni(3), one Ni(4), and one Ni(5) atom to form distorted edge-sharing OLi3Ni3 pentagonal pyramids. In the eighth O site, O(8) is bonded to one Li(7), one Li(8), one Li(9), one Ni(1), one Ni(4), and one Ni(5) atom to form edge-sharing OLi3Ni3 octahedra. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(8), one Ni(2), one Ni(3), and one Ni(4) atom. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(9), one Ni(1), one Ni(7), and one Ni(8) atom. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Li(6), one Ni(2), one Ni(6), and one Ni(7) atom to form edge-sharing OLi3Ni3 octahedra. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Li(6), one Ni(2), one Ni(6), and one Ni(8) atom to form edge-sharing OLi3Ni3 octahedra. In the thirteenth O site, O(13) is bonded to one Li(10), one Li(7), one Li(9), one Ni(6), one Ni(7), and one Ni(8) atom to form distorted edge-sharing OLi3Ni3 pentagonal pyramids. In the fourteenth O site, O(14) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(6), one Li(8), one Ni(2), one Ni(3), and one Ni(5) atom. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(4), one Li(5), one Ni(2), one Ni(7), and one Ni(8) atom to form edge-sharing OLi3Ni3 octahedra. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Li(1), one Li(5), one Li(6), one Li(8), one Ni(2), one Ni(4), and one Ni(5) atom. is represented by the CIF card [CIF]
data_Li5(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.972
_cell_length_b   5.744
_cell_length_c   9.627
_cell_angle_alpha   90.025
_cell_angle_beta   89.991
_cell_angle_gamma   61.425
_symmetry_Int_Tables_number   1
_cell_volume   290.031
_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  0.973  0.011  0.485  1.0
  Li  Li1  1  0.027  0.984  0.985  1.0
  Li  Li2  1  0.198  0.185  0.558  1.0
  Li  Li3  1  0.354  0.323  0.782  1.0
  Li  Li4  1  0.594  0.204  0.545  1.0
  Li  Li5  1  0.204  0.619  0.559  1.0
  Li  Li6  1  0.806  0.384  0.058  1.0
  Li  Li7  1  0.646  0.677  0.282  1.0
  Li  Li8  1  0.408  0.797  0.043  1.0
  Li  Li9  1  0.801  0.817  0.059  1.0
  Ni  Ni10  1  0.331  0.335  0.034  1.0
  Ni  Ni11  1  0.664  0.668  0.533  1.0
  Ni  Ni12  1  0.152  0.177  0.286  1.0
  Ni  Ni13  1  0.643  0.179  0.287  1.0
  Ni  Ni14  1  0.152  0.671  0.286  1.0
  Ni  Ni15  1  0.848  0.329  0.786  1.0
  Ni  Ni16  1  0.360  0.820  0.787  1.0
  Ni  Ni17  1  0.847  0.823  0.786  1.0
  O  O18  1  0.011  0.987  0.681  1.0
  O  O19  1  0.982  0.002  0.182  1.0
  O  O20  1  0.187  0.164  0.914  1.0
  O  O21  1  0.477  0.028  0.158  1.0
  O  O22  1  0.702  0.145  0.902  1.0
  O  O23  1  0.014  0.501  0.168  1.0
  O  O24  1  0.312  0.350  0.399  1.0
  O  O25  1  0.482  0.494  0.156  1.0
  O  O26  1  0.810  0.349  0.412  1.0
  O  O27  1  0.192  0.646  0.914  1.0
  O  O28  1  0.525  0.500  0.657  1.0
  O  O29  1  0.983  0.511  0.667  1.0
  O  O30  1  0.694  0.659  0.901  1.0
  O  O31  1  0.299  0.840  0.405  1.0
  O  O32  1  0.520  0.977  0.655  1.0
  O  O33  1  0.803  0.843  0.412  1.0
[/CIF]
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