The material structure described by TlCl3 is alpha U structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four trichlorothallane molecules. Tl(1) is bonded in a trigonal planar geometry to one Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Tl(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Tl(1) atom. is represented by the CIF card [CIF]
data_TlCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.369
_cell_length_b   11.152
_cell_length_c   13.019
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1069.803
_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
  Tl  Tl0  1  0.173  0.750  0.248  1.0
  Tl  Tl1  1  0.327  0.750  0.748  1.0
  Tl  Tl2  1  0.827  0.250  0.752  1.0
  Tl  Tl3  1  0.673  0.250  0.252  1.0
  Cl  Cl4  1  0.322  0.750  0.086  1.0
  Cl  Cl5  1  0.178  0.750  0.586  1.0
  Cl  Cl6  1  0.678  0.250  0.914  1.0
  Cl  Cl7  1  0.822  0.250  0.414  1.0
  Cl  Cl8  1  0.087  0.932  0.334  1.0
  Cl  Cl9  1  0.413  0.568  0.834  1.0
  Cl  Cl10  1  0.913  0.432  0.666  1.0
  Cl  Cl11  1  0.587  0.068  0.166  1.0
  Cl  Cl12  1  0.913  0.068  0.666  1.0
  Cl  Cl13  1  0.587  0.432  0.166  1.0
  Cl  Cl14  1  0.087  0.568  0.334  1.0
  Cl  Cl15  1  0.413  0.932  0.834  1.0
[/CIF]
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The material structure described by TlCl3 is alpha U structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four trichlorothallane molecules. Tl(1) is bonded in a trigonal planar geometry to one Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Tl(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Tl(1) atom. is represented by the CIF card [CIF]
data_TlCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.369
_cell_length_b   11.152
_cell_length_c   13.019
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1069.803
_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
  Tl  Tl0  1  0.173  0.750  0.248  1.0
  Tl  Tl1  1  0.327  0.750  0.748  1.0
  Tl  Tl2  1  0.827  0.250  0.752  1.0
  Tl  Tl3  1  0.673  0.250  0.252  1.0
  Cl  Cl4  1  0.322  0.750  0.086  1.0
  Cl  Cl5  1  0.178  0.750  0.586  1.0
  Cl  Cl6  1  0.678  0.250  0.914  1.0
  Cl  Cl7  1  0.822  0.250  0.414  1.0
  Cl  Cl8  1  0.087  0.932  0.334  1.0
  Cl  Cl9  1  0.413  0.568  0.834  1.0
  Cl  Cl10  1  0.913  0.432  0.666  1.0
  Cl  Cl11  1  0.587  0.068  0.166  1.0
  Cl  Cl12  1  0.913  0.068  0.666  1.0
  Cl  Cl13  1  0.587  0.432  0.166  1.0
  Cl  Cl14  1  0.087  0.568  0.334  1.0
  Cl  Cl15  1  0.413  0.932  0.834  1.0
[/CIF]
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