The material described by Li2Ni2BiO6 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded to four equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 21-70°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) 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(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BiO6 octahedra that share corners with eight equivalent Li(1)O4 trigonal pyramids and edges with six equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ni(1) and one Bi(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Ni(1), and one Bi(1) 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   5.310
_cell_length_b   5.310
_cell_length_c   10.160
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.443
_symmetry_Int_Tables_number   1
_cell_volume   249.487
_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  0.155  0.655  0.750  1.0
  Li  Li1  1  0.345  0.845  0.250  1.0
  Li  Li2  1  0.655  0.155  0.750  1.0
  Li  Li3  1  0.845  0.345  0.250  1.0
  Ni  Ni4  1  0.335  0.665  0.000  1.0
  Ni  Ni5  1  0.835  0.165  0.500  1.0
  Ni  Ni6  1  0.165  0.835  0.500  1.0
  Ni  Ni7  1  0.665  0.335  0.000  1.0
  Bi  Bi8  1  0.000  0.000  0.000  1.0
  Bi  Bi9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.152  0.152  0.601  1.0
  O  O11  1  0.348  0.348  0.101  1.0
  O  O12  1  0.652  0.652  0.899  1.0
  O  O13  1  0.975  0.335  0.889  1.0
  O  O14  1  0.848  0.848  0.399  1.0
  O  O15  1  0.165  0.525  0.389  1.0
  O  O16  1  0.475  0.835  0.611  1.0
  O  O17  1  0.665  0.025  0.111  1.0
  O  O18  1  0.025  0.665  0.111  1.0
  O  O19  1  0.335  0.975  0.889  1.0
  O  O20  1  0.525  0.165  0.389  1.0
  O  O21  1  0.835  0.475  0.611  1.0
[/CIF]
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The material described by Li2Ni2BiO6 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded to four equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 21-70°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) 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(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BiO6 octahedra that share corners with eight equivalent Li(1)O4 trigonal pyramids and edges with six equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ni(1) and one Bi(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Ni(1), and one Bi(1) 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   5.310
_cell_length_b   5.310
_cell_length_c   10.160
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.443
_symmetry_Int_Tables_number   1
_cell_volume   249.487
_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  0.155  0.655  0.750  1.0
  Li  Li1  1  0.345  0.845  0.250  1.0
  Li  Li2  1  0.655  0.155  0.750  1.0
  Li  Li3  1  0.845  0.345  0.250  1.0
  Ni  Ni4  1  0.335  0.665  0.000  1.0
  Ni  Ni5  1  0.835  0.165  0.500  1.0
  Ni  Ni6  1  0.165  0.835  0.500  1.0
  Ni  Ni7  1  0.665  0.335  0.000  1.0
  Bi  Bi8  1  0.000  0.000  0.000  1.0
  Bi  Bi9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.152  0.152  0.601  1.0
  O  O11  1  0.348  0.348  0.101  1.0
  O  O12  1  0.652  0.652  0.899  1.0
  O  O13  1  0.975  0.335  0.889  1.0
  O  O14  1  0.848  0.848  0.399  1.0
  O  O15  1  0.165  0.525  0.389  1.0
  O  O16  1  0.475  0.835  0.611  1.0
  O  O17  1  0.665  0.025  0.111  1.0
  O  O18  1  0.025  0.665  0.111  1.0
  O  O19  1  0.335  0.975  0.889  1.0
  O  O20  1  0.525  0.165  0.389  1.0
  O  O21  1  0.835  0.475  0.611  1.0
[/CIF]
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