The compound described by TlAlCl4 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and four AlCl4 clusters. In each AlCl4 cluster, Al(1) is bonded in a tetrahedral geometry to one Cl(2), one Cl(3), and two equivalent Cl(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Al(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Al(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Al(1) atom. is represented by the CIF file [CIF]
data_AlTlCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.031
_cell_length_b   9.307
_cell_length_c   10.805
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   707.076
_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
  Al  Al0  1  0.250  0.314  0.435  1.0
  Al  Al1  1  0.250  0.186  0.935  1.0
  Al  Al2  1  0.750  0.686  0.565  1.0
  Al  Al3  1  0.750  0.814  0.065  1.0
  Tl  Tl4  1  0.750  0.189  0.688  1.0
  Tl  Tl5  1  0.250  0.689  0.812  1.0
  Tl  Tl6  1  0.250  0.811  0.312  1.0
  Tl  Tl7  1  0.750  0.311  0.188  1.0
  Cl  Cl8  1  0.497  0.179  0.426  1.0
  Cl  Cl9  1  0.250  0.454  0.278  1.0
  Cl  Cl10  1  0.503  0.679  0.074  1.0
  Cl  Cl11  1  0.997  0.679  0.074  1.0
  Cl  Cl12  1  0.497  0.321  0.926  1.0
  Cl  Cl13  1  0.750  0.546  0.722  1.0
  Cl  Cl14  1  0.250  0.046  0.778  1.0
  Cl  Cl15  1  0.750  0.927  0.893  1.0
  Cl  Cl16  1  0.997  0.821  0.574  1.0
  Cl  Cl17  1  0.503  0.821  0.574  1.0
  Cl  Cl18  1  0.750  0.954  0.222  1.0
  Cl  Cl19  1  0.250  0.073  0.107  1.0
  Cl  Cl20  1  0.003  0.179  0.426  1.0
  Cl  Cl21  1  0.250  0.427  0.607  1.0
  Cl  Cl22  1  0.750  0.573  0.393  1.0
  Cl  Cl23  1  0.003  0.321  0.926  1.0
[/CIF]
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The compound described by TlAlCl4 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and four AlCl4 clusters. In each AlCl4 cluster, Al(1) is bonded in a tetrahedral geometry to one Cl(2), one Cl(3), and two equivalent Cl(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Al(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Al(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Al(1) atom. is represented by the CIF file [CIF]
data_AlTlCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.031
_cell_length_b   9.307
_cell_length_c   10.805
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   707.076
_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
  Al  Al0  1  0.250  0.314  0.435  1.0
  Al  Al1  1  0.250  0.186  0.935  1.0
  Al  Al2  1  0.750  0.686  0.565  1.0
  Al  Al3  1  0.750  0.814  0.065  1.0
  Tl  Tl4  1  0.750  0.189  0.688  1.0
  Tl  Tl5  1  0.250  0.689  0.812  1.0
  Tl  Tl6  1  0.250  0.811  0.312  1.0
  Tl  Tl7  1  0.750  0.311  0.188  1.0
  Cl  Cl8  1  0.497  0.179  0.426  1.0
  Cl  Cl9  1  0.250  0.454  0.278  1.0
  Cl  Cl10  1  0.503  0.679  0.074  1.0
  Cl  Cl11  1  0.997  0.679  0.074  1.0
  Cl  Cl12  1  0.497  0.321  0.926  1.0
  Cl  Cl13  1  0.750  0.546  0.722  1.0
  Cl  Cl14  1  0.250  0.046  0.778  1.0
  Cl  Cl15  1  0.750  0.927  0.893  1.0
  Cl  Cl16  1  0.997  0.821  0.574  1.0
  Cl  Cl17  1  0.503  0.821  0.574  1.0
  Cl  Cl18  1  0.750  0.954  0.222  1.0
  Cl  Cl19  1  0.250  0.073  0.107  1.0
  Cl  Cl20  1  0.003  0.179  0.426  1.0
  Cl  Cl21  1  0.250  0.427  0.607  1.0
  Cl  Cl22  1  0.750  0.573  0.393  1.0
  Cl  Cl23  1  0.003  0.321  0.926  1.0
[/CIF]
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