The crystal structure described by TaWO6Tl crystallizes in the orthorhombic Ima2 space group. The structure consists of four 7440-28-0 atoms inside a TaWO6 framework. In the TaWO6 framework, Ta(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees 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 Ta(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ta(1) and one W(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaTlWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.431
_cell_length_b   7.431
_cell_length_c   7.431
_cell_angle_alpha   120.198
_cell_angle_beta   119.892
_cell_angle_gamma   89.922
_symmetry_Int_Tables_number   1
_cell_volume   289.922
_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
  Ta  Ta0  1  0.500  0.997  0.497  1.0
  Ta  Ta1  1  0.000  0.997  0.997  1.0
  Tl  Tl2  1  0.093  0.276  0.683  1.0
  Tl  Tl3  1  0.907  0.590  0.183  1.0
  W  W4  1  0.500  0.497  0.497  1.0
  W  W5  1  0.500  0.997  0.997  1.0
  O  O6  1  0.559  0.309  0.250  1.0
  O  O7  1  0.185  0.938  0.252  1.0
  O  O8  1  0.194  0.940  0.878  1.0
  O  O9  1  0.561  0.316  0.624  1.0
  O  O10  1  0.562  0.940  0.247  1.0
  O  O11  1  0.193  0.316  0.255  1.0
  O  O12  1  0.441  0.691  0.750  1.0
  O  O13  1  0.815  0.067  0.752  1.0
  O  O14  1  0.807  0.063  0.124  1.0
  O  O15  1  0.438  0.685  0.378  1.0
  O  O16  1  0.439  0.063  0.755  1.0
  O  O17  1  0.806  0.685  0.747  1.0
[/CIF]
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The crystal structure described by TaWO6Tl crystallizes in the orthorhombic Ima2 space group. The structure consists of four 7440-28-0 atoms inside a TaWO6 framework. In the TaWO6 framework, Ta(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees 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 Ta(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ta(1) and one W(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaTlWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.431
_cell_length_b   7.431
_cell_length_c   7.431
_cell_angle_alpha   120.198
_cell_angle_beta   119.892
_cell_angle_gamma   89.922
_symmetry_Int_Tables_number   1
_cell_volume   289.922
_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
  Ta  Ta0  1  0.500  0.997  0.497  1.0
  Ta  Ta1  1  0.000  0.997  0.997  1.0
  Tl  Tl2  1  0.093  0.276  0.683  1.0
  Tl  Tl3  1  0.907  0.590  0.183  1.0
  W  W4  1  0.500  0.497  0.497  1.0
  W  W5  1  0.500  0.997  0.997  1.0
  O  O6  1  0.559  0.309  0.250  1.0
  O  O7  1  0.185  0.938  0.252  1.0
  O  O8  1  0.194  0.940  0.878  1.0
  O  O9  1  0.561  0.316  0.624  1.0
  O  O10  1  0.562  0.940  0.247  1.0
  O  O11  1  0.193  0.316  0.255  1.0
  O  O12  1  0.441  0.691  0.750  1.0
  O  O13  1  0.815  0.067  0.752  1.0
  O  O14  1  0.807  0.063  0.124  1.0
  O  O15  1  0.438  0.685  0.378  1.0
  O  O16  1  0.439  0.063  0.755  1.0
  O  O17  1  0.806  0.685  0.747  1.0
[/CIF]
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