The material described by (B)2(TlCl)2Cl2 crystallizes in the cubic F-43m space group. The structure consists of four 7440-42-8 atoms and four hydrochloric acid atoms inside a TlCl framework. In the TlCl framework, Tl(1) is bonded to four equivalent Cl(1) atoms to form corner-sharing TlCl4 tetrahedra. Cl(1) is bonded to four equivalent Tl(1) atoms to form corner-sharing ClTl4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlBCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.061
_cell_length_b   5.061
_cell_length_c   5.061
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   91.687
_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  0.750  0.750  0.750  1.0
  B  B1  1  0.500  0.500  0.500  1.0
  Cl  Cl2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.250  0.250  0.250  1.0
[/CIF]
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The material described by (B)2(TlCl)2Cl2 crystallizes in the cubic F-43m space group. The structure consists of four 7440-42-8 atoms and four hydrochloric acid atoms inside a TlCl framework. In the TlCl framework, Tl(1) is bonded to four equivalent Cl(1) atoms to form corner-sharing TlCl4 tetrahedra. Cl(1) is bonded to four equivalent Tl(1) atoms to form corner-sharing ClTl4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlBCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.061
_cell_length_b   5.061
_cell_length_c   5.061
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   91.687
_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  0.750  0.750  0.750  1.0
  B  B1  1  0.500  0.500  0.500  1.0
  Cl  Cl2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.250  0.250  0.250  1.0
[/CIF]
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