The material structure described by Li4Co3NiO8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are four 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(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the second Li site, Li(2) 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 Co(3)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the third Li site, Li(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 LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. 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 Co(4)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with six equivalent Li(3)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 Co(4)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with six equivalent Li(3)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 Co(3)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)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 Co(2)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form CoO6 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(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fifth Co site, Co(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(8) atoms to form CoO6 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(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the sixth Co site, Co(6) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)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 Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), one Co(1), one Co(4), and one Co(6) atom to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one O(3)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra, edges with three equivalent O(4)Li3Co2Ni octahedra, edges with three equivalent O(5)Li3Co2Ni octahedra, and edges with three equivalent O(7)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Co(2), one Co(3), and one Co(5) atom to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra, edges with three equivalent O(3)Li3Co2Ni octahedra, edges with three equivalent O(6)Li3Co2Ni octahedra, and edges with three equivalent O(8)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Co(2), one Co(5), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(3)Li3Co2Ni octahedra, corners with three equivalent O(4)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(6)Li3Co2Ni octahedra, edges with three equivalent O(8)Li3Co2Ni octahedra, and edges with three equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Co(1), one Co(4), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(3)Li3Co2Ni octahedra, corners with three equivalent O(4)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(5)Li3Co2Ni octahedra, edges with three equivalent O(7)Li3Co2Ni octahedra, and edges with three equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(6), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(5)Li3Co2Ni octahedra, corners with three equivalent O(6)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(4)Li3Co2Ni octahedra, edges with three equivalent O(7)Li3Co2Ni octahedra, and edges with three equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Co(2), one Co(3), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(5)Li3Co2Ni octahedra, corners with three equivalent O(6)Li3Co2Ni octahedra,  an edgeedge with one O(4)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(3)Li3Co2Ni octahedra, edges with three equivalent O(8)Li3Co2Ni octahedra, and edges with three equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Co(4), one Co(6), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(7)Li3Co2Ni octahedra, corners with three equivalent O(8)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(4)Li3Co2Ni octahedra, edges with three equivalent O(5)Li3Co2Ni octahedra, and edges with three equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(4), one Co(3), one Co(5), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(7)Li3Co2Ni octahedra, corners with three equivalent O(8)Li3Co2Ni octahedra,  an edgeedge with one O(4)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(3)Li3Co2Ni octahedra, edges with three equivalent O(6)Li3Co2Ni octahedra, and edges with three equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_Li4Co3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   10.144
_cell_length_c   5.853
_cell_angle_alpha   72.871
_cell_angle_beta   59.843
_cell_angle_gamma   72.630
_symmetry_Int_Tables_number   1
_cell_volume   282.302
_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  0.744  0.751  0.756  1.0
  Li  Li1  1  0.256  0.249  0.244  1.0
  Li  Li2  1  0.252  0.749  0.246  1.0
  Li  Li3  1  0.748  0.251  0.754  1.0
  Li  Li4  1  0.247  0.747  0.748  1.0
  Li  Li5  1  0.753  0.253  0.252  1.0
  Li  Li6  1  0.744  0.755  0.249  1.0
  Li  Li7  1  0.256  0.245  0.751  1.0
  Co  Co8  1  1.000  0.500  0.500  1.0
  Co  Co9  1  0.500  0.000  1.000  1.0
  Co  Co10  1  0.500  0.000  0.500  1.0
  Co  Co11  1  0.500  0.500  1.000  1.0
  Co  Co12  1  1.000  0.000  0.500  1.0
  Co  Co13  1  1.000  0.500  0.000  1.0
  Ni  Ni14  1  0.500  0.500  0.500  1.0
  Ni  Ni15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.148  0.616  0.117  1.0
  O  O17  1  0.643  0.115  0.644  1.0
  O  O18  1  0.357  0.885  0.356  1.0
  O  O19  1  0.852  0.384  0.883  1.0
  O  O20  1  0.845  0.884  0.891  1.0
  O  O21  1  0.380  0.386  0.350  1.0
  O  O22  1  0.108  0.611  0.638  1.0
  O  O23  1  0.607  0.105  0.139  1.0
  O  O24  1  0.621  0.611  0.117  1.0
  O  O25  1  0.141  0.107  0.612  1.0
  O  O26  1  0.859  0.893  0.388  1.0
  O  O27  1  0.379  0.389  0.883  1.0
  O  O28  1  0.393  0.895  0.861  1.0
  O  O29  1  0.892  0.389  0.362  1.0
  O  O30  1  0.620  0.613  0.650  1.0
  O  O31  1  0.155  0.116  0.109  1.0
[/CIF]
.
The material structure described by Li4Co3NiO8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are four 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(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the second Li site, Li(2) 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 Co(3)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the third Li site, Li(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 LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. 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 Co(4)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with six equivalent Li(3)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 Co(4)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with six equivalent Li(3)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 Co(3)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)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 Co(2)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form CoO6 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(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fifth Co site, Co(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(8) atoms to form CoO6 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(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the sixth Co site, Co(6) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)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 Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), one Co(1), one Co(4), and one Co(6) atom to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one O(3)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra, edges with three equivalent O(4)Li3Co2Ni octahedra, edges with three equivalent O(5)Li3Co2Ni octahedra, and edges with three equivalent O(7)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Co(2), one Co(3), and one Co(5) atom to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra, edges with three equivalent O(3)Li3Co2Ni octahedra, edges with three equivalent O(6)Li3Co2Ni octahedra, and edges with three equivalent O(8)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Co(2), one Co(5), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(3)Li3Co2Ni octahedra, corners with three equivalent O(4)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(6)Li3Co2Ni octahedra, edges with three equivalent O(8)Li3Co2Ni octahedra, and edges with three equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Co(1), one Co(4), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(3)Li3Co2Ni octahedra, corners with three equivalent O(4)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(5)Li3Co2Ni octahedra, edges with three equivalent O(7)Li3Co2Ni octahedra, and edges with three equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(6), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(5)Li3Co2Ni octahedra, corners with three equivalent O(6)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(4)Li3Co2Ni octahedra, edges with three equivalent O(7)Li3Co2Ni octahedra, and edges with three equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Co(2), one Co(3), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(5)Li3Co2Ni octahedra, corners with three equivalent O(6)Li3Co2Ni octahedra,  an edgeedge with one O(4)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(3)Li3Co2Ni octahedra, edges with three equivalent O(8)Li3Co2Ni octahedra, and edges with three equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Co(4), one Co(6), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(7)Li3Co2Ni octahedra, corners with three equivalent O(8)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(4)Li3Co2Ni octahedra, edges with three equivalent O(5)Li3Co2Ni octahedra, and edges with three equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(4), one Co(3), one Co(5), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(7)Li3Co2Ni octahedra, corners with three equivalent O(8)Li3Co2Ni octahedra,  an edgeedge with one O(4)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(3)Li3Co2Ni octahedra, edges with three equivalent O(6)Li3Co2Ni octahedra, and edges with three equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_Li4Co3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   10.144
_cell_length_c   5.853
_cell_angle_alpha   72.871
_cell_angle_beta   59.843
_cell_angle_gamma   72.630
_symmetry_Int_Tables_number   1
_cell_volume   282.302
_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  0.744  0.751  0.756  1.0
  Li  Li1  1  0.256  0.249  0.244  1.0
  Li  Li2  1  0.252  0.749  0.246  1.0
  Li  Li3  1  0.748  0.251  0.754  1.0
  Li  Li4  1  0.247  0.747  0.748  1.0
  Li  Li5  1  0.753  0.253  0.252  1.0
  Li  Li6  1  0.744  0.755  0.249  1.0
  Li  Li7  1  0.256  0.245  0.751  1.0
  Co  Co8  1  1.000  0.500  0.500  1.0
  Co  Co9  1  0.500  0.000  1.000  1.0
  Co  Co10  1  0.500  0.000  0.500  1.0
  Co  Co11  1  0.500  0.500  1.000  1.0
  Co  Co12  1  1.000  0.000  0.500  1.0
  Co  Co13  1  1.000  0.500  0.000  1.0
  Ni  Ni14  1  0.500  0.500  0.500  1.0
  Ni  Ni15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.148  0.616  0.117  1.0
  O  O17  1  0.643  0.115  0.644  1.0
  O  O18  1  0.357  0.885  0.356  1.0
  O  O19  1  0.852  0.384  0.883  1.0
  O  O20  1  0.845  0.884  0.891  1.0
  O  O21  1  0.380  0.386  0.350  1.0
  O  O22  1  0.108  0.611  0.638  1.0
  O  O23  1  0.607  0.105  0.139  1.0
  O  O24  1  0.621  0.611  0.117  1.0
  O  O25  1  0.141  0.107  0.612  1.0
  O  O26  1  0.859  0.893  0.388  1.0
  O  O27  1  0.379  0.389  0.883  1.0
  O  O28  1  0.393  0.895  0.861  1.0
  O  O29  1  0.892  0.389  0.362  1.0
  O  O30  1  0.620  0.613  0.650  1.0
  O  O31  1  0.155  0.116  0.109  1.0
[/CIF]
.