The material structure described by KTl(SO4)2 crystallizes in the trigonal R32 space group. K(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. Tl(1) is bonded to six equivalent O(1) atoms to form distorted TlO6 pentagonal pyramids that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(2) and three equivalent O(1) atoms to form SO4 tetrahedra that share corners with three equivalent Tl(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTl(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.184
_cell_length_b   9.184
_cell_length_c   9.184
_cell_angle_alpha   31.387
_cell_angle_beta   31.387
_cell_angle_gamma   31.387
_symmetry_Int_Tables_number   1
_cell_volume   186.536
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.258  0.258  0.258  1.0
  S  S3  1  0.742  0.742  0.742  1.0
  O  O4  1  0.733  0.432  0.002  1.0
  O  O5  1  0.432  0.002  0.733  1.0
  O  O6  1  0.267  0.998  0.568  1.0
  O  O7  1  0.002  0.733  0.432  1.0
  O  O8  1  0.568  0.267  0.998  1.0
  O  O9  1  0.998  0.568  0.267  1.0
  O  O10  1  0.202  0.202  0.202  1.0
  O  O11  1  0.798  0.798  0.798  1.0
[/CIF]
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The material structure described by KTl(SO4)2 crystallizes in the trigonal R32 space group. K(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. Tl(1) is bonded to six equivalent O(1) atoms to form distorted TlO6 pentagonal pyramids that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(2) and three equivalent O(1) atoms to form SO4 tetrahedra that share corners with three equivalent Tl(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTl(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.184
_cell_length_b   9.184
_cell_length_c   9.184
_cell_angle_alpha   31.387
_cell_angle_beta   31.387
_cell_angle_gamma   31.387
_symmetry_Int_Tables_number   1
_cell_volume   186.536
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.258  0.258  0.258  1.0
  S  S3  1  0.742  0.742  0.742  1.0
  O  O4  1  0.733  0.432  0.002  1.0
  O  O5  1  0.432  0.002  0.733  1.0
  O  O6  1  0.267  0.998  0.568  1.0
  O  O7  1  0.002  0.733  0.432  1.0
  O  O8  1  0.568  0.267  0.998  1.0
  O  O9  1  0.998  0.568  0.267  1.0
  O  O10  1  0.202  0.202  0.202  1.0
  O  O11  1  0.798  0.798  0.798  1.0
[/CIF]
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