The material described by Li2Ni2BiO6 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 20-71°. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 21-70°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with four equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Ni(4)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Ni(3)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with four equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Ni(2)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form BiO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, corners with four equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Ni(2)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. In the second Bi site, Bi(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, corners with four equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(4), and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ni(2), one Ni(3), and one Bi(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ni(2), one Ni(3), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OLi2Ni2Bi trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(4), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OLi2Ni2Bi square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ni(2), one Ni(3), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OLi2Ni2Bi square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(4), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OLi2Ni2Bi trigonal bipyramids. is represented by the CIF file [CIF]
data_Li2Ni2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.312
_cell_length_b   5.313
_cell_length_c   10.177
_cell_angle_alpha   90.064
_cell_angle_beta   90.061
_cell_angle_gamma   119.239
_symmetry_Int_Tables_number   1
_cell_volume   250.648
_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  0.648  0.150  0.750  1.0
  Li  Li1  1  0.850  0.352  0.250  1.0
  Li  Li2  1  0.150  0.648  0.750  1.0
  Li  Li3  1  0.352  0.850  0.250  1.0
  Ni  Ni4  1  0.839  0.160  0.500  1.0
  Ni  Ni5  1  0.331  0.669  1.000  1.0
  Ni  Ni6  1  0.660  0.340  1.000  1.0
  Ni  Ni7  1  0.169  0.831  0.500  1.0
  Bi  Bi8  1  0.992  0.008  1.000  1.0
  Bi  Bi9  1  0.508  0.492  0.500  1.0
  O  O10  1  0.166  0.135  0.601  1.0
  O  O11  1  0.335  0.366  0.101  1.0
  O  O12  1  0.634  0.665  0.899  1.0
  O  O13  1  0.865  0.834  0.399  1.0
  O  O14  1  0.330  0.969  0.893  1.0
  O  O15  1  0.521  0.163  0.384  1.0
  O  O16  1  0.837  0.479  0.616  1.0
  O  O17  1  0.031  0.670  0.107  1.0
  O  O18  1  0.664  0.022  0.116  1.0
  O  O19  1  0.978  0.336  0.884  1.0
  O  O20  1  0.170  0.530  0.393  1.0
  O  O21  1  0.470  0.830  0.607  1.0
[/CIF]
.
The material described by Li2Ni2BiO6 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 20-71°. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 21-70°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with four equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Ni(4)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Ni(3)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with four equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Ni(2)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form BiO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, corners with four equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Ni(2)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. In the second Bi site, Bi(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, corners with four equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(4), and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ni(2), one Ni(3), and one Bi(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ni(2), one Ni(3), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OLi2Ni2Bi trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(4), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OLi2Ni2Bi square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ni(2), one Ni(3), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OLi2Ni2Bi square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(4), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OLi2Ni2Bi trigonal bipyramids. is represented by the CIF file [CIF]
data_Li2Ni2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.312
_cell_length_b   5.313
_cell_length_c   10.177
_cell_angle_alpha   90.064
_cell_angle_beta   90.061
_cell_angle_gamma   119.239
_symmetry_Int_Tables_number   1
_cell_volume   250.648
_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  0.648  0.150  0.750  1.0
  Li  Li1  1  0.850  0.352  0.250  1.0
  Li  Li2  1  0.150  0.648  0.750  1.0
  Li  Li3  1  0.352  0.850  0.250  1.0
  Ni  Ni4  1  0.839  0.160  0.500  1.0
  Ni  Ni5  1  0.331  0.669  1.000  1.0
  Ni  Ni6  1  0.660  0.340  1.000  1.0
  Ni  Ni7  1  0.169  0.831  0.500  1.0
  Bi  Bi8  1  0.992  0.008  1.000  1.0
  Bi  Bi9  1  0.508  0.492  0.500  1.0
  O  O10  1  0.166  0.135  0.601  1.0
  O  O11  1  0.335  0.366  0.101  1.0
  O  O12  1  0.634  0.665  0.899  1.0
  O  O13  1  0.865  0.834  0.399  1.0
  O  O14  1  0.330  0.969  0.893  1.0
  O  O15  1  0.521  0.163  0.384  1.0
  O  O16  1  0.837  0.479  0.616  1.0
  O  O17  1  0.031  0.670  0.107  1.0
  O  O18  1  0.664  0.022  0.116  1.0
  O  O19  1  0.978  0.336  0.884  1.0
  O  O20  1  0.170  0.530  0.393  1.0
  O  O21  1  0.470  0.830  0.607  1.0
[/CIF]
.