The material described by Li2WNi3O8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra and corners with nine equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. W(1) is bonded to six equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent W(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Ni(1) atoms to form corner-sharing OLiNi3 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one W(1), and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Li2Ni3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   5.943
_cell_length_c   5.998
_cell_angle_alpha   119.683
_cell_angle_beta   89.999
_cell_angle_gamma   119.994
_symmetry_Int_Tables_number   1
_cell_volume   150.481
_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  0.130  0.260  0.390  1.0
  Li  Li1  1  0.870  0.740  0.610  1.0
  Ni  Ni2  1  0.500  0.000  0.000  1.0
  Ni  Ni3  1  1.000  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.270  0.540  0.810  1.0
  O  O6  1  0.730  0.460  0.190  1.0
  O  O7  1  0.268  0.993  0.261  1.0
  O  O8  1  0.724  0.993  0.261  1.0
  O  O9  1  0.268  0.537  0.261  1.0
  O  O10  1  0.732  0.463  0.739  1.0
  O  O11  1  0.276  0.007  0.739  1.0
  O  O12  1  0.732  0.007  0.739  1.0
  W  W13  1  0.500  1.000  0.500  1.0
[/CIF]
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The material described by Li2WNi3O8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra and corners with nine equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. W(1) is bonded to six equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent W(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Ni(1) atoms to form corner-sharing OLiNi3 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one W(1), and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Li2Ni3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   5.943
_cell_length_c   5.998
_cell_angle_alpha   119.683
_cell_angle_beta   89.999
_cell_angle_gamma   119.994
_symmetry_Int_Tables_number   1
_cell_volume   150.481
_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  0.130  0.260  0.390  1.0
  Li  Li1  1  0.870  0.740  0.610  1.0
  Ni  Ni2  1  0.500  0.000  0.000  1.0
  Ni  Ni3  1  1.000  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.270  0.540  0.810  1.0
  O  O6  1  0.730  0.460  0.190  1.0
  O  O7  1  0.268  0.993  0.261  1.0
  O  O8  1  0.724  0.993  0.261  1.0
  O  O9  1  0.268  0.537  0.261  1.0
  O  O10  1  0.732  0.463  0.739  1.0
  O  O11  1  0.276  0.007  0.739  1.0
  O  O12  1  0.732  0.007  0.739  1.0
  W  W13  1  0.500  1.000  0.500  1.0
[/CIF]
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