The compound described by KTlCl2 crystallizes in the cubic Fd-3m space group. K(1) is bonded to six equivalent Cl(1) atoms to form KCl6 octahedra that share corners with six equivalent Tl(1)Cl6 octahedra, edges with six equivalent K(1)Cl6 octahedra, and edges with six equivalent Tl(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 2°. Tl(1) is bonded to six equivalent Cl(1) atoms to form distorted TlCl6 octahedra that share corners with six equivalent K(1)Cl6 octahedra, edges with six equivalent K(1)Cl6 octahedra, and edges with six equivalent Tl(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 2°. Cl(1) is bonded to three equivalent K(1) and three equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing ClK3Tl3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.004
_cell_length_b   9.004
_cell_length_c   9.006
_cell_angle_alpha   119.994
_cell_angle_beta   119.994
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   516.430
_cell_formula_units_Z   4
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  0.625  0.875  0.250  1.0
  K  K1  1  0.625  0.375  0.250  1.0
  K  K2  1  0.625  0.375  0.750  1.0
  K  K3  1  0.125  0.375  0.750  1.0
  Tl  Tl4  1  0.125  0.375  0.250  1.0
  Tl  Tl5  1  0.125  0.875  0.250  1.0
  Tl  Tl6  1  0.125  0.875  0.750  1.0
  Tl  Tl7  1  0.625  0.875  0.750  1.0
  Cl  Cl8  1  0.384  0.128  0.256  1.0
  Cl  Cl9  1  0.872  0.128  0.256  1.0
  Cl  Cl10  1  0.378  0.134  0.756  1.0
  Cl  Cl11  1  0.866  0.622  0.244  1.0
  Cl  Cl12  1  0.378  0.622  0.756  1.0
  Cl  Cl13  1  0.378  0.622  0.244  1.0
  Cl  Cl14  1  0.872  0.616  0.744  1.0
  Cl  Cl15  1  0.872  0.128  0.744  1.0
[/CIF]
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The compound described by KTlCl2 crystallizes in the cubic Fd-3m space group. K(1) is bonded to six equivalent Cl(1) atoms to form KCl6 octahedra that share corners with six equivalent Tl(1)Cl6 octahedra, edges with six equivalent K(1)Cl6 octahedra, and edges with six equivalent Tl(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 2°. Tl(1) is bonded to six equivalent Cl(1) atoms to form distorted TlCl6 octahedra that share corners with six equivalent K(1)Cl6 octahedra, edges with six equivalent K(1)Cl6 octahedra, and edges with six equivalent Tl(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 2°. Cl(1) is bonded to three equivalent K(1) and three equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing ClK3Tl3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.004
_cell_length_b   9.004
_cell_length_c   9.006
_cell_angle_alpha   119.994
_cell_angle_beta   119.994
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   516.430
_cell_formula_units_Z   4
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  0.625  0.875  0.250  1.0
  K  K1  1  0.625  0.375  0.250  1.0
  K  K2  1  0.625  0.375  0.750  1.0
  K  K3  1  0.125  0.375  0.750  1.0
  Tl  Tl4  1  0.125  0.375  0.250  1.0
  Tl  Tl5  1  0.125  0.875  0.250  1.0
  Tl  Tl6  1  0.125  0.875  0.750  1.0
  Tl  Tl7  1  0.625  0.875  0.750  1.0
  Cl  Cl8  1  0.384  0.128  0.256  1.0
  Cl  Cl9  1  0.872  0.128  0.256  1.0
  Cl  Cl10  1  0.378  0.134  0.756  1.0
  Cl  Cl11  1  0.866  0.622  0.244  1.0
  Cl  Cl12  1  0.378  0.622  0.756  1.0
  Cl  Cl13  1  0.378  0.622  0.244  1.0
  Cl  Cl14  1  0.872  0.616  0.744  1.0
  Cl  Cl15  1  0.872  0.128  0.744  1.0
[/CIF]
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