The structure described by Li3(WO3)8 crystallizes in the cubic Pm-3 space group. Li(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 25-30°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3(WO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.593
_cell_length_b   7.593
_cell_length_c   7.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.756
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  W  W3  1  0.249  0.249  0.249  1.0
  W  W4  1  0.249  0.751  0.249  1.0
  W  W5  1  0.249  0.249  0.751  1.0
  W  W6  1  0.249  0.751  0.751  1.0
  W  W7  1  0.751  0.751  0.751  1.0
  W  W8  1  0.751  0.751  0.249  1.0
  W  W9  1  0.751  0.249  0.751  1.0
  W  W10  1  0.751  0.249  0.249  1.0
  O  O11  1  0.207  0.300  0.500  1.0
  O  O12  1  0.000  0.288  0.789  1.0
  O  O13  1  0.207  0.700  0.500  1.0
  O  O14  1  0.211  0.000  0.288  1.0
  O  O15  1  0.000  0.712  0.789  1.0
  O  O16  1  0.300  0.500  0.793  1.0
  O  O17  1  0.211  0.000  0.712  1.0
  O  O18  1  0.500  0.793  0.700  1.0
  O  O19  1  0.300  0.500  0.207  1.0
  O  O20  1  0.288  0.789  0.000  1.0
  O  O21  1  0.500  0.207  0.700  1.0
  O  O22  1  0.288  0.211  0.000  1.0
  O  O23  1  0.712  0.789  0.000  1.0
  O  O24  1  0.500  0.793  0.300  1.0
  O  O25  1  0.712  0.211  0.000  1.0
  O  O26  1  0.700  0.500  0.793  1.0
  O  O27  1  0.500  0.207  0.300  1.0
  O  O28  1  0.789  0.000  0.288  1.0
  O  O29  1  0.700  0.500  0.207  1.0
  O  O30  1  0.000  0.288  0.211  1.0
  O  O31  1  0.789  0.000  0.712  1.0
  O  O32  1  0.793  0.300  0.500  1.0
  O  O33  1  0.000  0.712  0.211  1.0
  O  O34  1  0.793  0.700  0.500  1.0
[/CIF]
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The structure described by Li3(WO3)8 crystallizes in the cubic Pm-3 space group. Li(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 25-30°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3(WO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.593
_cell_length_b   7.593
_cell_length_c   7.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.756
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  W  W3  1  0.249  0.249  0.249  1.0
  W  W4  1  0.249  0.751  0.249  1.0
  W  W5  1  0.249  0.249  0.751  1.0
  W  W6  1  0.249  0.751  0.751  1.0
  W  W7  1  0.751  0.751  0.751  1.0
  W  W8  1  0.751  0.751  0.249  1.0
  W  W9  1  0.751  0.249  0.751  1.0
  W  W10  1  0.751  0.249  0.249  1.0
  O  O11  1  0.207  0.300  0.500  1.0
  O  O12  1  0.000  0.288  0.789  1.0
  O  O13  1  0.207  0.700  0.500  1.0
  O  O14  1  0.211  0.000  0.288  1.0
  O  O15  1  0.000  0.712  0.789  1.0
  O  O16  1  0.300  0.500  0.793  1.0
  O  O17  1  0.211  0.000  0.712  1.0
  O  O18  1  0.500  0.793  0.700  1.0
  O  O19  1  0.300  0.500  0.207  1.0
  O  O20  1  0.288  0.789  0.000  1.0
  O  O21  1  0.500  0.207  0.700  1.0
  O  O22  1  0.288  0.211  0.000  1.0
  O  O23  1  0.712  0.789  0.000  1.0
  O  O24  1  0.500  0.793  0.300  1.0
  O  O25  1  0.712  0.211  0.000  1.0
  O  O26  1  0.700  0.500  0.793  1.0
  O  O27  1  0.500  0.207  0.300  1.0
  O  O28  1  0.789  0.000  0.288  1.0
  O  O29  1  0.700  0.500  0.207  1.0
  O  O30  1  0.000  0.288  0.211  1.0
  O  O31  1  0.789  0.000  0.712  1.0
  O  O32  1  0.793  0.300  0.500  1.0
  O  O33  1  0.000  0.712  0.211  1.0
  O  O34  1  0.793  0.700  0.500  1.0
[/CIF]
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