The compound described by Li2WNi3O8 is Spinel-derived structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3) 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°. In the second Li site, Li(2) is bonded to one O(4) and three equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. Ni(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one W(1), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one W(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded to one Li(1) and three equivalent Ni(1) atoms to form distorted corner-sharing OLiNi3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent Ni(1) atoms to form corner-sharing OLiNi3 tetrahedra. is represented by the CIF file [CIF]
data_Li2Ni3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.877
_cell_length_b   5.878
_cell_length_c   9.597
_cell_angle_alpha   89.996
_cell_angle_beta   90.002
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   287.081
_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  0.333  0.667  0.903  1.0
  Li  Li1  1  1.000  0.000  0.990  1.0
  Li  Li2  1  0.000  0.000  0.490  1.0
  Li  Li3  1  0.667  0.333  0.403  1.0
  Ni  Ni4  1  0.170  0.830  0.215  1.0
  Ni  Ni5  1  0.170  0.340  0.214  1.0
  Ni  Ni6  1  0.660  0.830  0.214  1.0
  Ni  Ni7  1  0.340  0.170  0.714  1.0
  Ni  Ni8  1  0.830  0.660  0.715  1.0
  Ni  Ni9  1  0.830  0.170  0.714  1.0
  W  W10  1  0.333  0.667  0.487  1.0
  W  W11  1  0.667  0.333  0.987  1.0
  O  O12  1  0.170  0.830  0.588  1.0
  O  O13  1  0.035  0.517  0.350  1.0
  O  O14  1  0.334  0.666  0.116  1.0
  O  O15  1  1.000  0.000  0.299  1.0
  O  O16  1  0.000  0.000  0.799  1.0
  O  O17  1  0.170  0.340  0.588  1.0
  O  O18  1  0.483  0.965  0.350  1.0
  O  O19  1  0.483  0.517  0.350  1.0
  O  O20  1  0.340  0.170  0.088  1.0
  O  O21  1  0.660  0.830  0.588  1.0
  O  O22  1  0.517  0.483  0.850  1.0
  O  O23  1  0.517  0.035  0.850  1.0
  O  O24  1  0.666  0.333  0.616  1.0
  O  O25  1  0.830  0.660  0.088  1.0
  O  O26  1  0.965  0.483  0.850  1.0
  O  O27  1  0.830  0.170  0.088  1.0
[/CIF]
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The compound described by Li2WNi3O8 is Spinel-derived structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3) 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°. In the second Li site, Li(2) is bonded to one O(4) and three equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. Ni(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one W(1), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one W(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded to one Li(1) and three equivalent Ni(1) atoms to form distorted corner-sharing OLiNi3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent Ni(1) atoms to form corner-sharing OLiNi3 tetrahedra. is represented by the CIF file [CIF]
data_Li2Ni3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.877
_cell_length_b   5.878
_cell_length_c   9.597
_cell_angle_alpha   89.996
_cell_angle_beta   90.002
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   287.081
_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  0.333  0.667  0.903  1.0
  Li  Li1  1  1.000  0.000  0.990  1.0
  Li  Li2  1  0.000  0.000  0.490  1.0
  Li  Li3  1  0.667  0.333  0.403  1.0
  Ni  Ni4  1  0.170  0.830  0.215  1.0
  Ni  Ni5  1  0.170  0.340  0.214  1.0
  Ni  Ni6  1  0.660  0.830  0.214  1.0
  Ni  Ni7  1  0.340  0.170  0.714  1.0
  Ni  Ni8  1  0.830  0.660  0.715  1.0
  Ni  Ni9  1  0.830  0.170  0.714  1.0
  W  W10  1  0.333  0.667  0.487  1.0
  W  W11  1  0.667  0.333  0.987  1.0
  O  O12  1  0.170  0.830  0.588  1.0
  O  O13  1  0.035  0.517  0.350  1.0
  O  O14  1  0.334  0.666  0.116  1.0
  O  O15  1  1.000  0.000  0.299  1.0
  O  O16  1  0.000  0.000  0.799  1.0
  O  O17  1  0.170  0.340  0.588  1.0
  O  O18  1  0.483  0.965  0.350  1.0
  O  O19  1  0.483  0.517  0.350  1.0
  O  O20  1  0.340  0.170  0.088  1.0
  O  O21  1  0.660  0.830  0.588  1.0
  O  O22  1  0.517  0.483  0.850  1.0
  O  O23  1  0.517  0.035  0.850  1.0
  O  O24  1  0.666  0.333  0.616  1.0
  O  O25  1  0.830  0.660  0.088  1.0
  O  O26  1  0.965  0.483  0.850  1.0
  O  O27  1  0.830  0.170  0.088  1.0
[/CIF]
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