The structure described by Li2Co3NiO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Co(1), and one Ni(1) atom to form distorted OLiCo2Ni trigonal pyramids that share corners with three equivalent O(2)LiCo3 tetrahedra, corners with nine equivalent O(1)LiCo2Ni trigonal pyramids,  an edgeedge with one O(2)LiCo3 tetrahedra, and edges with two equivalent O(1)LiCo2Ni trigonal pyramids. In the second O site, O(2) is bonded to one Li(1) and three equivalent Co(1) atoms to form distorted OLiCo3 tetrahedra that share corners with three equivalent O(2)LiCo3 tetrahedra, corners with nine equivalent O(1)LiCo2Ni trigonal pyramids, and edges with three equivalent O(1)LiCo2Ni trigonal pyramids. is represented by the CIF card [CIF]
data_Li2Co3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.651
_cell_length_b   5.651
_cell_length_c   5.651
_cell_angle_alpha   60.227
_cell_angle_beta   60.227
_cell_angle_gamma   60.227
_symmetry_Int_Tables_number   1
_cell_volume   128.249
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.875  0.875  0.875  1.0
  Li  Li1  1  0.125  0.125  0.125  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.500  1.0
  Co  Co4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.291  0.735  0.735  1.0
  O  O7  1  0.735  0.291  0.735  1.0
  O  O8  1  0.266  0.266  0.266  1.0
  O  O9  1  0.735  0.735  0.291  1.0
  O  O10  1  0.265  0.265  0.709  1.0
  O  O11  1  0.734  0.734  0.734  1.0
  O  O12  1  0.265  0.709  0.265  1.0
  O  O13  1  0.709  0.265  0.265  1.0
[/CIF]
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The structure described by Li2Co3NiO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Co(1), and one Ni(1) atom to form distorted OLiCo2Ni trigonal pyramids that share corners with three equivalent O(2)LiCo3 tetrahedra, corners with nine equivalent O(1)LiCo2Ni trigonal pyramids,  an edgeedge with one O(2)LiCo3 tetrahedra, and edges with two equivalent O(1)LiCo2Ni trigonal pyramids. In the second O site, O(2) is bonded to one Li(1) and three equivalent Co(1) atoms to form distorted OLiCo3 tetrahedra that share corners with three equivalent O(2)LiCo3 tetrahedra, corners with nine equivalent O(1)LiCo2Ni trigonal pyramids, and edges with three equivalent O(1)LiCo2Ni trigonal pyramids. is represented by the CIF card [CIF]
data_Li2Co3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.651
_cell_length_b   5.651
_cell_length_c   5.651
_cell_angle_alpha   60.227
_cell_angle_beta   60.227
_cell_angle_gamma   60.227
_symmetry_Int_Tables_number   1
_cell_volume   128.249
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.875  0.875  0.875  1.0
  Li  Li1  1  0.125  0.125  0.125  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.500  1.0
  Co  Co4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.291  0.735  0.735  1.0
  O  O7  1  0.735  0.291  0.735  1.0
  O  O8  1  0.266  0.266  0.266  1.0
  O  O9  1  0.735  0.735  0.291  1.0
  O  O10  1  0.265  0.265  0.709  1.0
  O  O11  1  0.734  0.734  0.734  1.0
  O  O12  1  0.265  0.709  0.265  1.0
  O  O13  1  0.709  0.265  0.265  1.0
[/CIF]
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