The material structure described by LiNiO2 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), 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 Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth Li site, Li(5) 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 LiO6 octahedra that share corners with three equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. There are seven inequivalent Ni sites. In the first Ni site, Ni(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 NiO6 octahedra that share corners with three equivalent Ni(6)O6 octahedra, corners with three equivalent Ni(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with six equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth Ni site, Ni(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with six equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the sixth Ni site, Ni(6) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the seventh Ni site, Ni(7) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)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 8-10°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Ni(2), and one Ni(4) atom to form OLi4Ni2 octahedra that share corners with three equivalent O(1)Li4Ni2 octahedra, corners with three equivalent O(2)Li4Ni2 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra, edges with three equivalent O(4)Li2Ni4 octahedra, edges with three equivalent O(6)Li3Ni3 octahedra, and edges with three equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Ni(3), and one Ni(5) atom to form OLi4Ni2 octahedra that share corners with three equivalent O(1)Li4Ni2 octahedra, corners with three equivalent O(2)Li4Ni2 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with three equivalent O(3)Li2Ni4 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra, and edges with three equivalent O(7)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to one Li(4), one Li(5), one Ni(1), one Ni(3), one Ni(5), and one Ni(6) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(3)Li2Ni4 octahedra, corners with three equivalent O(4)Li2Ni4 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra, edges with three equivalent O(7)Li3Ni3 octahedra, and edges with three equivalent O(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to one Li(4), one Li(5), one Ni(1), one Ni(2), one Ni(4), and one Ni(7) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(3)Li2Ni4 octahedra, corners with three equivalent O(4)Li2Ni4 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(2)Li4Ni2 octahedra, edges with three equivalent O(6)Li3Ni3 octahedra, edges with three equivalent O(8)Li3Ni3 octahedra, and edges with three equivalent O(1)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(5), one Ni(1), one Ni(5), and one Ni(6) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(5)Li3Ni3 octahedra, corners with three equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra, edges with three equivalent O(3)Li2Ni4 octahedra, edges with three equivalent O(7)Li3Ni3 octahedra, and edges with three equivalent O(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(5), one Ni(1), one Ni(4), and one Ni(7) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(5)Li3Ni3 octahedra, corners with three equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(2)Li4Ni2 octahedra, edges with three equivalent O(4)Li2Ni4 octahedra, edges with three equivalent O(8)Li3Ni3 octahedra, and edges with three equivalent O(1)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Ni(1), one Ni(3), and one Ni(6) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(7)Li3Ni3 octahedra, corners with three equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra, edges with three equivalent O(3)Li2Ni4 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra, and edges with three equivalent O(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(7) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(7)Li3Ni3 octahedra, corners with three equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(2)Li4Ni2 octahedra, edges with three equivalent O(4)Li2Ni4 octahedra, edges with three equivalent O(6)Li3Ni3 octahedra, and edges with three equivalent O(1)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.746
_cell_length_b   5.808
_cell_length_c   9.988
_cell_angle_alpha   73.878
_cell_angle_beta   73.277
_cell_angle_gamma   60.295
_symmetry_Int_Tables_number   1
_cell_volume   273.590
_cell_formula_units_Z   8
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  0.002  0.500  0.501  1.0
  Li  Li1  1  0.498  0.000  0.999  1.0
  Li  Li2  1  0.250  0.750  0.750  1.0
  Li  Li3  1  0.750  0.250  0.250  1.0
  Li  Li4  1  0.012  0.987  0.507  1.0
  Li  Li5  1  0.488  0.513  0.993  1.0
  Li  Li6  1  0.509  0.004  0.499  1.0
  Li  Li7  1  0.991  0.496  0.001  1.0
  Ni  Ni8  1  0.996  0.003  1.000  1.0
  Ni  Ni9  1  0.504  0.497  0.501  1.0
  Ni  Ni10  1  0.750  0.750  0.250  1.0
  Ni  Ni11  1  0.250  0.250  0.750  1.0
  Ni  Ni12  1  0.250  0.750  0.250  1.0
  Ni  Ni13  1  0.750  0.250  0.750  1.0
  Ni  Ni14  1  0.750  0.750  0.750  1.0
  Ni  Ni15  1  0.250  0.250  0.250  1.0
  O  O16  1  0.612  0.641  0.140  1.0
  O  O17  1  0.108  0.139  0.640  1.0
  O  O18  1  0.888  0.859  0.360  1.0
  O  O19  1  0.392  0.361  0.860  1.0
  O  O20  1  0.646  0.127  0.630  1.0
  O  O21  1  0.098  0.623  0.132  1.0
  O  O22  1  0.854  0.373  0.870  1.0
  O  O23  1  0.402  0.877  0.368  1.0
  O  O24  1  0.865  0.908  0.867  1.0
  O  O25  1  0.369  0.401  0.367  1.0
  O  O26  1  0.355  0.904  0.871  1.0
  O  O27  1  0.863  0.407  0.365  1.0
  O  O28  1  0.635  0.591  0.633  1.0
  O  O29  1  0.131  0.099  0.133  1.0
  O  O30  1  0.145  0.596  0.629  1.0
  O  O31  1  0.637  0.093  0.135  1.0
[/CIF]
.
The material structure described by LiNiO2 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), 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 Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth Li site, Li(5) 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 LiO6 octahedra that share corners with three equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. There are seven inequivalent Ni sites. In the first Ni site, Ni(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 NiO6 octahedra that share corners with three equivalent Ni(6)O6 octahedra, corners with three equivalent Ni(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with six equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth Ni site, Ni(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with six equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the sixth Ni site, Ni(6) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the seventh Ni site, Ni(7) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)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 8-10°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Ni(2), and one Ni(4) atom to form OLi4Ni2 octahedra that share corners with three equivalent O(1)Li4Ni2 octahedra, corners with three equivalent O(2)Li4Ni2 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra, edges with three equivalent O(4)Li2Ni4 octahedra, edges with three equivalent O(6)Li3Ni3 octahedra, and edges with three equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Ni(3), and one Ni(5) atom to form OLi4Ni2 octahedra that share corners with three equivalent O(1)Li4Ni2 octahedra, corners with three equivalent O(2)Li4Ni2 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with three equivalent O(3)Li2Ni4 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra, and edges with three equivalent O(7)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to one Li(4), one Li(5), one Ni(1), one Ni(3), one Ni(5), and one Ni(6) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(3)Li2Ni4 octahedra, corners with three equivalent O(4)Li2Ni4 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra, edges with three equivalent O(7)Li3Ni3 octahedra, and edges with three equivalent O(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to one Li(4), one Li(5), one Ni(1), one Ni(2), one Ni(4), and one Ni(7) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(3)Li2Ni4 octahedra, corners with three equivalent O(4)Li2Ni4 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(2)Li4Ni2 octahedra, edges with three equivalent O(6)Li3Ni3 octahedra, edges with three equivalent O(8)Li3Ni3 octahedra, and edges with three equivalent O(1)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(5), one Ni(1), one Ni(5), and one Ni(6) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(5)Li3Ni3 octahedra, corners with three equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra, edges with three equivalent O(3)Li2Ni4 octahedra, edges with three equivalent O(7)Li3Ni3 octahedra, and edges with three equivalent O(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(5), one Ni(1), one Ni(4), and one Ni(7) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(5)Li3Ni3 octahedra, corners with three equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(2)Li4Ni2 octahedra, edges with three equivalent O(4)Li2Ni4 octahedra, edges with three equivalent O(8)Li3Ni3 octahedra, and edges with three equivalent O(1)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Ni(1), one Ni(3), and one Ni(6) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(7)Li3Ni3 octahedra, corners with three equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra, edges with three equivalent O(3)Li2Ni4 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra, and edges with three equivalent O(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(7) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(7)Li3Ni3 octahedra, corners with three equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(2)Li4Ni2 octahedra, edges with three equivalent O(4)Li2Ni4 octahedra, edges with three equivalent O(6)Li3Ni3 octahedra, and edges with three equivalent O(1)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.746
_cell_length_b   5.808
_cell_length_c   9.988
_cell_angle_alpha   73.878
_cell_angle_beta   73.277
_cell_angle_gamma   60.295
_symmetry_Int_Tables_number   1
_cell_volume   273.590
_cell_formula_units_Z   8
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  0.002  0.500  0.501  1.0
  Li  Li1  1  0.498  0.000  0.999  1.0
  Li  Li2  1  0.250  0.750  0.750  1.0
  Li  Li3  1  0.750  0.250  0.250  1.0
  Li  Li4  1  0.012  0.987  0.507  1.0
  Li  Li5  1  0.488  0.513  0.993  1.0
  Li  Li6  1  0.509  0.004  0.499  1.0
  Li  Li7  1  0.991  0.496  0.001  1.0
  Ni  Ni8  1  0.996  0.003  1.000  1.0
  Ni  Ni9  1  0.504  0.497  0.501  1.0
  Ni  Ni10  1  0.750  0.750  0.250  1.0
  Ni  Ni11  1  0.250  0.250  0.750  1.0
  Ni  Ni12  1  0.250  0.750  0.250  1.0
  Ni  Ni13  1  0.750  0.250  0.750  1.0
  Ni  Ni14  1  0.750  0.750  0.750  1.0
  Ni  Ni15  1  0.250  0.250  0.250  1.0
  O  O16  1  0.612  0.641  0.140  1.0
  O  O17  1  0.108  0.139  0.640  1.0
  O  O18  1  0.888  0.859  0.360  1.0
  O  O19  1  0.392  0.361  0.860  1.0
  O  O20  1  0.646  0.127  0.630  1.0
  O  O21  1  0.098  0.623  0.132  1.0
  O  O22  1  0.854  0.373  0.870  1.0
  O  O23  1  0.402  0.877  0.368  1.0
  O  O24  1  0.865  0.908  0.867  1.0
  O  O25  1  0.369  0.401  0.367  1.0
  O  O26  1  0.355  0.904  0.871  1.0
  O  O27  1  0.863  0.407  0.365  1.0
  O  O28  1  0.635  0.591  0.633  1.0
  O  O29  1  0.131  0.099  0.133  1.0
  O  O30  1  0.145  0.596  0.629  1.0
  O  O31  1  0.637  0.093  0.135  1.0
[/CIF]
.