The crystal structure described by Li(WO3)2 crystallizes in the orthorhombic Immm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 26-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(2) and two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Li(WO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.568
_cell_length_b   6.568
_cell_length_c   6.568
_cell_angle_alpha   109.853
_cell_angle_beta   109.413
_cell_angle_gamma   109.148
_symmetry_Int_Tables_number   1
_cell_volume   218.115
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  W  W2  1  0.000  0.500  0.000  1.0
  W  W3  1  0.000  0.000  0.500  1.0
  W  W4  1  0.500  0.000  0.000  1.0
  W  W5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.201  0.295  0.496  1.0
  O  O7  1  0.080  0.790  0.290  1.0
  O  O8  1  0.201  0.705  0.906  1.0
  O  O9  1  0.293  0.494  0.201  1.0
  O  O10  1  0.500  0.790  0.710  1.0
  O  O11  1  0.293  0.092  0.799  1.0
  O  O12  1  0.707  0.908  0.201  1.0
  O  O13  1  0.500  0.210  0.290  1.0
  O  O14  1  0.707  0.506  0.799  1.0
  O  O15  1  0.799  0.295  0.094  1.0
  O  O16  1  0.920  0.210  0.710  1.0
  O  O17  1  0.799  0.705  0.504  1.0
[/CIF]
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The crystal structure described by Li(WO3)2 crystallizes in the orthorhombic Immm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 26-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(2) and two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Li(WO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.568
_cell_length_b   6.568
_cell_length_c   6.568
_cell_angle_alpha   109.853
_cell_angle_beta   109.413
_cell_angle_gamma   109.148
_symmetry_Int_Tables_number   1
_cell_volume   218.115
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  W  W2  1  0.000  0.500  0.000  1.0
  W  W3  1  0.000  0.000  0.500  1.0
  W  W4  1  0.500  0.000  0.000  1.0
  W  W5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.201  0.295  0.496  1.0
  O  O7  1  0.080  0.790  0.290  1.0
  O  O8  1  0.201  0.705  0.906  1.0
  O  O9  1  0.293  0.494  0.201  1.0
  O  O10  1  0.500  0.790  0.710  1.0
  O  O11  1  0.293  0.092  0.799  1.0
  O  O12  1  0.707  0.908  0.201  1.0
  O  O13  1  0.500  0.210  0.290  1.0
  O  O14  1  0.707  0.506  0.799  1.0
  O  O15  1  0.799  0.295  0.094  1.0
  O  O16  1  0.920  0.210  0.710  1.0
  O  O17  1  0.799  0.705  0.504  1.0
[/CIF]
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