The structure described by Li4Ni5BiO12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. 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 Ni(2)O6 octahedra and edges with three equivalent Bi(1)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. Bi(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form BiO6 octahedra that share edges with six equivalent Ni(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Ni(2), and one Bi(1) atom to form distorted OLi2Ni2Bi trigonal bipyramids that share corners with two equivalent O(2)Li2Ni3 square pyramids, corners with three equivalent O(1)Li2Ni2Bi trigonal bipyramids,  an edgeedge with one O(2)Li2Ni3 square pyramid, and edges with four equivalent O(1)Li2Ni2Bi trigonal bipyramids. 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 three equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(1)Li2Ni2Bi trigonal bipyramids, edges with four equivalent O(2)Li2Ni3 square pyramids, and  an edgeedge with one O(1)Li2Ni2Bi trigonal bipyramid. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar 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 two equivalent Ni(2) and one Bi(1) atom. is represented by the CIF card [CIF]
data_Li4Ni5BiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.150
_cell_length_c   10.122
_cell_angle_alpha   91.104
_cell_angle_beta   92.192
_cell_angle_gamma   59.738
_symmetry_Int_Tables_number   1
_cell_volume   233.575
_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  0.175  0.459  0.742  1.0
  Li  Li1  1  0.366  0.459  0.258  1.0
  Li  Li2  1  0.634  0.541  0.742  1.0
  Li  Li3  1  0.825  0.541  0.258  1.0
  Ni  Ni4  1  0.164  0.671  0.500  1.0
  Ni  Ni5  1  0.666  0.669  0.000  1.0
  Ni  Ni6  1  0.334  0.331  0.000  1.0
  Ni  Ni7  1  0.836  0.329  0.500  1.0
  Ni  Ni8  1  0.500  0.000  0.500  1.0
  Bi  Bi9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.028  0.641  0.114  1.0
  O  O11  1  0.331  0.641  0.886  1.0
  O  O12  1  0.158  0.358  0.398  1.0
  O  O13  1  0.515  0.642  0.398  1.0
  O  O14  1  0.485  0.358  0.602  1.0
  O  O15  1  0.178  0.000  0.590  1.0
  O  O16  1  0.842  0.642  0.602  1.0
  O  O17  1  0.669  0.359  0.114  1.0
  O  O18  1  0.359  0.000  0.105  1.0
  O  O19  1  0.972  0.359  0.886  1.0
  O  O20  1  0.641  0.000  0.895  1.0
  O  O21  1  0.822  0.000  0.410  1.0
[/CIF]
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The structure described by Li4Ni5BiO12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. 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 Ni(2)O6 octahedra and edges with three equivalent Bi(1)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. Bi(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form BiO6 octahedra that share edges with six equivalent Ni(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Ni(2), and one Bi(1) atom to form distorted OLi2Ni2Bi trigonal bipyramids that share corners with two equivalent O(2)Li2Ni3 square pyramids, corners with three equivalent O(1)Li2Ni2Bi trigonal bipyramids,  an edgeedge with one O(2)Li2Ni3 square pyramid, and edges with four equivalent O(1)Li2Ni2Bi trigonal bipyramids. 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 three equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(1)Li2Ni2Bi trigonal bipyramids, edges with four equivalent O(2)Li2Ni3 square pyramids, and  an edgeedge with one O(1)Li2Ni2Bi trigonal bipyramid. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar 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 two equivalent Ni(2) and one Bi(1) atom. is represented by the CIF card [CIF]
data_Li4Ni5BiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.150
_cell_length_c   10.122
_cell_angle_alpha   91.104
_cell_angle_beta   92.192
_cell_angle_gamma   59.738
_symmetry_Int_Tables_number   1
_cell_volume   233.575
_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  0.175  0.459  0.742  1.0
  Li  Li1  1  0.366  0.459  0.258  1.0
  Li  Li2  1  0.634  0.541  0.742  1.0
  Li  Li3  1  0.825  0.541  0.258  1.0
  Ni  Ni4  1  0.164  0.671  0.500  1.0
  Ni  Ni5  1  0.666  0.669  0.000  1.0
  Ni  Ni6  1  0.334  0.331  0.000  1.0
  Ni  Ni7  1  0.836  0.329  0.500  1.0
  Ni  Ni8  1  0.500  0.000  0.500  1.0
  Bi  Bi9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.028  0.641  0.114  1.0
  O  O11  1  0.331  0.641  0.886  1.0
  O  O12  1  0.158  0.358  0.398  1.0
  O  O13  1  0.515  0.642  0.398  1.0
  O  O14  1  0.485  0.358  0.602  1.0
  O  O15  1  0.178  0.000  0.590  1.0
  O  O16  1  0.842  0.642  0.602  1.0
  O  O17  1  0.669  0.359  0.114  1.0
  O  O18  1  0.359  0.000  0.105  1.0
  O  O19  1  0.972  0.359  0.886  1.0
  O  O20  1  0.641  0.000  0.895  1.0
  O  O21  1  0.822  0.000  0.410  1.0
[/CIF]
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