The material structure described by (WO3)3Tl crystallizes in the hexagonal P6mm space group. The structure consists of one 7440-28-0 atom inside a WO3 framework. In the WO3 framework, W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to 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 CIF file [CIF]
data_Tl(WO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.409
_cell_length_b   7.409
_cell_length_c   3.818
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   181.499
_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
  Tl  Tl0  1  0.000  0.000  0.933  1.0
  W  W1  1  0.000  0.500  0.499  1.0
  W  W2  1  0.500  0.500  0.499  1.0
  W  W3  1  0.500  0.000  0.499  1.0
  O  O4  1  0.000  0.500  0.999  1.0
  O  O5  1  0.211  0.789  0.500  1.0
  O  O6  1  0.211  0.422  0.500  1.0
  O  O7  1  0.578  0.789  0.500  1.0
  O  O8  1  0.500  0.500  0.999  1.0
  O  O9  1  0.422  0.211  0.500  1.0
  O  O10  1  0.500  0.000  0.999  1.0
  O  O11  1  0.789  0.578  0.500  1.0
  O  O12  1  0.789  0.211  0.500  1.0
[/CIF]
.
The material structure described by (WO3)3Tl crystallizes in the hexagonal P6mm space group. The structure consists of one 7440-28-0 atom inside a WO3 framework. In the WO3 framework, W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to 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 CIF file [CIF]
data_Tl(WO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.409
_cell_length_b   7.409
_cell_length_c   3.818
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   181.499
_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
  Tl  Tl0  1  0.000  0.000  0.933  1.0
  W  W1  1  0.000  0.500  0.499  1.0
  W  W2  1  0.500  0.500  0.499  1.0
  W  W3  1  0.500  0.000  0.499  1.0
  O  O4  1  0.000  0.500  0.999  1.0
  O  O5  1  0.211  0.789  0.500  1.0
  O  O6  1  0.211  0.422  0.500  1.0
  O  O7  1  0.578  0.789  0.500  1.0
  O  O8  1  0.500  0.500  0.999  1.0
  O  O9  1  0.422  0.211  0.500  1.0
  O  O10  1  0.500  0.000  0.999  1.0
  O  O11  1  0.789  0.578  0.500  1.0
  O  O12  1  0.789  0.211  0.500  1.0
[/CIF]
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