The compound described by LiCo3NiO8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(14), one O(16), one O(5), one O(7), and one O(9) atom to form distorted 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(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(13), one O(15), one O(6), and one O(8) atom to form distorted 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(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)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, and edges with two equivalent Co(5)O6 octahedra. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the third Co site, Co(3) is bonded to one O(13), one O(15), one O(2), one O(4), one O(5), and one O(7) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(1), one O(14), one O(16), one O(3), one O(6), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the fifth Co site, Co(5) is bonded to one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)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, and edges with two equivalent Co(1)O6 octahedra. In the sixth Co site, Co(6) is bonded to one O(10), one O(11), one O(15), one O(2), one O(3), and one O(6) atom to form CoO6 octahedra that share  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(14), one O(16), one O(6), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. In the second Ni site, Ni(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-16°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(4), and one Co(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(2), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(3), one Co(5), and one Ni(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(4), one Co(6), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Ni(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(5), and one Ni(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(6), and one Ni(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(6), and one Ni(1) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(5), and one Ni(2) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(3), and one Ni(2) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(4), and one Ni(1) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(3), one Co(6), and one Ni(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(4), one Co(5), and one Ni(1) atom. is represented by the CIF card [CIF]
data_LiCo3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   9.870
_cell_length_c   6.013
_cell_angle_alpha   106.332
_cell_angle_beta   118.182
_cell_angle_gamma   89.639
_symmetry_Int_Tables_number   1
_cell_volume   282.236
_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  0.755  0.252  0.503  1.0
  Li  Li1  1  0.245  0.748  0.497  1.0
  Co  Co2  1  0.746  0.251  0.010  1.0
  Co  Co3  1  0.254  0.749  0.990  1.0
  Co  Co4  1  0.500  1.000  0.999  1.0
  Co  Co5  1  1.000  0.500  0.001  1.0
  Co  Co6  1  0.242  0.250  0.003  1.0
  Co  Co7  1  0.758  0.750  0.996  1.0
  Ni  Ni8  1  0.500  0.500  0.001  1.0
  Ni  Ni9  1  0.000  1.000  0.999  1.0
  O  O10  1  0.092  0.366  0.196  1.0
  O  O11  1  0.600  0.863  0.184  1.0
  O  O12  1  0.907  0.634  0.805  1.0
  O  O13  1  0.401  0.137  0.816  1.0
  O  O14  1  0.346  0.114  0.191  1.0
  O  O15  1  0.872  0.625  0.198  1.0
  O  O16  1  0.827  0.125  0.207  1.0
  O  O17  1  0.339  0.617  0.186  1.0
  O  O18  1  0.588  0.362  0.198  1.0
  O  O19  1  0.104  0.860  0.185  1.0
  O  O20  1  0.412  0.638  0.803  1.0
  O  O21  1  0.896  0.140  0.814  1.0
  O  O22  1  0.174  0.874  0.792  1.0
  O  O23  1  0.660  0.383  0.816  1.0
  O  O24  1  0.654  0.885  0.808  1.0
  O  O25  1  0.128  0.376  0.803  1.0
[/CIF]
.
The compound described by LiCo3NiO8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(14), one O(16), one O(5), one O(7), and one O(9) atom to form distorted 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(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(13), one O(15), one O(6), and one O(8) atom to form distorted 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(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)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, and edges with two equivalent Co(5)O6 octahedra. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the third Co site, Co(3) is bonded to one O(13), one O(15), one O(2), one O(4), one O(5), and one O(7) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(1), one O(14), one O(16), one O(3), one O(6), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the fifth Co site, Co(5) is bonded to one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)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, and edges with two equivalent Co(1)O6 octahedra. In the sixth Co site, Co(6) is bonded to one O(10), one O(11), one O(15), one O(2), one O(3), and one O(6) atom to form CoO6 octahedra that share  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(14), one O(16), one O(6), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. In the second Ni site, Ni(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-16°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(4), and one Co(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(2), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(3), one Co(5), and one Ni(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(4), one Co(6), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Ni(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(5), and one Ni(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(6), and one Ni(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(6), and one Ni(1) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(5), and one Ni(2) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(3), and one Ni(2) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(4), and one Ni(1) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(3), one Co(6), and one Ni(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(4), one Co(5), and one Ni(1) atom. is represented by the CIF card [CIF]
data_LiCo3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   9.870
_cell_length_c   6.013
_cell_angle_alpha   106.332
_cell_angle_beta   118.182
_cell_angle_gamma   89.639
_symmetry_Int_Tables_number   1
_cell_volume   282.236
_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  0.755  0.252  0.503  1.0
  Li  Li1  1  0.245  0.748  0.497  1.0
  Co  Co2  1  0.746  0.251  0.010  1.0
  Co  Co3  1  0.254  0.749  0.990  1.0
  Co  Co4  1  0.500  1.000  0.999  1.0
  Co  Co5  1  1.000  0.500  0.001  1.0
  Co  Co6  1  0.242  0.250  0.003  1.0
  Co  Co7  1  0.758  0.750  0.996  1.0
  Ni  Ni8  1  0.500  0.500  0.001  1.0
  Ni  Ni9  1  0.000  1.000  0.999  1.0
  O  O10  1  0.092  0.366  0.196  1.0
  O  O11  1  0.600  0.863  0.184  1.0
  O  O12  1  0.907  0.634  0.805  1.0
  O  O13  1  0.401  0.137  0.816  1.0
  O  O14  1  0.346  0.114  0.191  1.0
  O  O15  1  0.872  0.625  0.198  1.0
  O  O16  1  0.827  0.125  0.207  1.0
  O  O17  1  0.339  0.617  0.186  1.0
  O  O18  1  0.588  0.362  0.198  1.0
  O  O19  1  0.104  0.860  0.185  1.0
  O  O20  1  0.412  0.638  0.803  1.0
  O  O21  1  0.896  0.140  0.814  1.0
  O  O22  1  0.174  0.874  0.792  1.0
  O  O23  1  0.660  0.383  0.816  1.0
  O  O24  1  0.654  0.885  0.808  1.0
  O  O25  1  0.128  0.376  0.803  1.0
[/CIF]
.