The compound described by WTl6O12 crystallizes in the trigonal R-3 space group. W(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Tl(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one W(1) and three equivalent Tl(1) atoms. In the second O site, O(2) is bonded to four equivalent Tl(1) atoms to form a mixture of corner and edge-sharing OTl4 tetrahedra. is represented by the CIF card [CIF]
data_Tl6WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.459
_cell_length_b   6.459
_cell_length_c   6.459
_cell_angle_alpha   98.395
_cell_angle_beta   98.395
_cell_angle_gamma   98.395
_symmetry_Int_Tables_number   1
_cell_volume   259.892
_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  0.306  0.604  0.134  1.0
  Tl  Tl1  1  0.866  0.694  0.396  1.0
  Tl  Tl2  1  0.396  0.866  0.694  1.0
  Tl  Tl3  1  0.604  0.134  0.306  1.0
  Tl  Tl4  1  0.134  0.306  0.604  1.0
  Tl  Tl5  1  0.694  0.396  0.866  1.0
  W  W6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.290  0.964  0.087  1.0
  O  O8  1  0.913  0.710  0.036  1.0
  O  O9  1  0.583  0.825  0.400  1.0
  O  O10  1  0.600  0.417  0.175  1.0
  O  O11  1  0.036  0.913  0.710  1.0
  O  O12  1  0.175  0.600  0.417  1.0
  O  O13  1  0.825  0.400  0.583  1.0
  O  O14  1  0.964  0.087  0.290  1.0
  O  O15  1  0.400  0.583  0.825  1.0
  O  O16  1  0.417  0.175  0.600  1.0
  O  O17  1  0.087  0.290  0.964  1.0
  O  O18  1  0.710  0.036  0.913  1.0
[/CIF]
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The compound described by WTl6O12 crystallizes in the trigonal R-3 space group. W(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Tl(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one W(1) and three equivalent Tl(1) atoms. In the second O site, O(2) is bonded to four equivalent Tl(1) atoms to form a mixture of corner and edge-sharing OTl4 tetrahedra. is represented by the CIF card [CIF]
data_Tl6WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.459
_cell_length_b   6.459
_cell_length_c   6.459
_cell_angle_alpha   98.395
_cell_angle_beta   98.395
_cell_angle_gamma   98.395
_symmetry_Int_Tables_number   1
_cell_volume   259.892
_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  0.306  0.604  0.134  1.0
  Tl  Tl1  1  0.866  0.694  0.396  1.0
  Tl  Tl2  1  0.396  0.866  0.694  1.0
  Tl  Tl3  1  0.604  0.134  0.306  1.0
  Tl  Tl4  1  0.134  0.306  0.604  1.0
  Tl  Tl5  1  0.694  0.396  0.866  1.0
  W  W6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.290  0.964  0.087  1.0
  O  O8  1  0.913  0.710  0.036  1.0
  O  O9  1  0.583  0.825  0.400  1.0
  O  O10  1  0.600  0.417  0.175  1.0
  O  O11  1  0.036  0.913  0.710  1.0
  O  O12  1  0.175  0.600  0.417  1.0
  O  O13  1  0.825  0.400  0.583  1.0
  O  O14  1  0.964  0.087  0.290  1.0
  O  O15  1  0.400  0.583  0.825  1.0
  O  O16  1  0.417  0.175  0.600  1.0
  O  O17  1  0.087  0.290  0.964  1.0
  O  O18  1  0.710  0.036  0.913  1.0
[/CIF]
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