The structure described by Li4CoNi5O12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Co(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CoO6 octahedra that share edges with six equivalent Ni(2)O6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form NiO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Ni(2)O6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and two equivalent Ni(2) atoms to form distorted OLi2CoNi2 square pyramids that share corners with two equivalent O(2)Li2Ni3 square pyramids, corners with three equivalent O(1)Li2CoNi2 square pyramids,  an edgeedge with one O(2)Li2Ni3 square pyramid, and edges with four equivalent O(1)Li2CoNi2 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(3), and two equivalent Ni(1) atoms to form distorted OLi2Ni3 square pyramids that share corners with two equivalent O(1)Li2CoNi2 square pyramids, corners with three equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(1)Li2CoNi2 square pyramid, and edges with four equivalent O(2)Li2Ni3 square pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ni(3) and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Li4CoNi5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.943
_cell_length_b   4.943
_cell_length_c   9.959
_cell_angle_alpha   89.357
_cell_angle_beta   89.357
_cell_angle_gamma   118.869
_symmetry_Int_Tables_number   1
_cell_volume   213.007
_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  0.150  0.665  0.752  1.0
  Li  Li1  1  0.335  0.850  0.248  1.0
  Li  Li2  1  0.665  0.150  0.752  1.0
  Li  Li3  1  0.850  0.335  0.248  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.166  0.834  0.500  1.0
  Ni  Ni6  1  0.663  0.337  0.000  1.0
  Ni  Ni7  1  0.337  0.663  0.000  1.0
  Ni  Ni8  1  0.834  0.166  0.500  1.0
  Ni  Ni9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.016  0.680  0.104  1.0
  O  O11  1  0.320  0.984  0.896  1.0
  O  O12  1  0.176  0.528  0.396  1.0
  O  O13  1  0.528  0.176  0.396  1.0
  O  O14  1  0.472  0.824  0.604  1.0
  O  O15  1  0.173  0.173  0.599  1.0
  O  O16  1  0.824  0.472  0.604  1.0
  O  O17  1  0.680  0.016  0.104  1.0
  O  O18  1  0.326  0.326  0.095  1.0
  O  O19  1  0.984  0.320  0.896  1.0
  O  O20  1  0.674  0.674  0.905  1.0
  O  O21  1  0.827  0.827  0.401  1.0
[/CIF]
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The structure described by Li4CoNi5O12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Co(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CoO6 octahedra that share edges with six equivalent Ni(2)O6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form NiO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Ni(2)O6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and two equivalent Ni(2) atoms to form distorted OLi2CoNi2 square pyramids that share corners with two equivalent O(2)Li2Ni3 square pyramids, corners with three equivalent O(1)Li2CoNi2 square pyramids,  an edgeedge with one O(2)Li2Ni3 square pyramid, and edges with four equivalent O(1)Li2CoNi2 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(3), and two equivalent Ni(1) atoms to form distorted OLi2Ni3 square pyramids that share corners with two equivalent O(1)Li2CoNi2 square pyramids, corners with three equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(1)Li2CoNi2 square pyramid, and edges with four equivalent O(2)Li2Ni3 square pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ni(3) and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Li4CoNi5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.943
_cell_length_b   4.943
_cell_length_c   9.959
_cell_angle_alpha   89.357
_cell_angle_beta   89.357
_cell_angle_gamma   118.869
_symmetry_Int_Tables_number   1
_cell_volume   213.007
_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  0.150  0.665  0.752  1.0
  Li  Li1  1  0.335  0.850  0.248  1.0
  Li  Li2  1  0.665  0.150  0.752  1.0
  Li  Li3  1  0.850  0.335  0.248  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.166  0.834  0.500  1.0
  Ni  Ni6  1  0.663  0.337  0.000  1.0
  Ni  Ni7  1  0.337  0.663  0.000  1.0
  Ni  Ni8  1  0.834  0.166  0.500  1.0
  Ni  Ni9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.016  0.680  0.104  1.0
  O  O11  1  0.320  0.984  0.896  1.0
  O  O12  1  0.176  0.528  0.396  1.0
  O  O13  1  0.528  0.176  0.396  1.0
  O  O14  1  0.472  0.824  0.604  1.0
  O  O15  1  0.173  0.173  0.599  1.0
  O  O16  1  0.824  0.472  0.604  1.0
  O  O17  1  0.680  0.016  0.104  1.0
  O  O18  1  0.326  0.326  0.095  1.0
  O  O19  1  0.984  0.320  0.896  1.0
  O  O20  1  0.674  0.674  0.905  1.0
  O  O21  1  0.827  0.827  0.401  1.0
[/CIF]
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