The structure described by TlTlBr4 is Indium-like structured and crystallizes in the orthorhombic Pnna space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and four TlBr4 clusters. In each TlBr4 cluster, Tl(2) is bonded in a tetrahedral geometry to two equivalent Br(1) and two equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Tl(2) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Tl(2) atom. is represented by the CIF card [CIF]
data_TlBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.084
_cell_length_b   10.412
_cell_length_c   10.603
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   892.565
_cell_formula_units_Z   8
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  0.678  0.250  0.250  1.0
  Tl  Tl1  1  0.822  0.750  0.250  1.0
  Tl  Tl2  1  0.322  0.750  0.750  1.0
  Tl  Tl3  1  0.178  0.250  0.750  1.0
  Tl  Tl4  1  0.250  0.000  0.177  1.0
  Tl  Tl5  1  0.250  0.500  0.323  1.0
  Tl  Tl6  1  0.750  0.000  0.823  1.0
  Tl  Tl7  1  0.750  0.500  0.677  1.0
  Br  Br8  1  0.353  0.193  0.043  1.0
  Br  Br9  1  0.353  0.307  0.457  1.0
  Br  Br10  1  0.147  0.693  0.457  1.0
  Br  Br11  1  0.147  0.807  0.043  1.0
  Br  Br12  1  0.647  0.807  0.957  1.0
  Br  Br13  1  0.647  0.693  0.543  1.0
  Br  Br14  1  0.853  0.307  0.543  1.0
  Br  Br15  1  0.853  0.193  0.957  1.0
  Br  Br16  1  0.995  0.046  0.321  1.0
  Br  Br17  1  0.995  0.454  0.179  1.0
  Br  Br18  1  0.505  0.546  0.179  1.0
  Br  Br19  1  0.505  0.954  0.321  1.0
  Br  Br20  1  0.005  0.954  0.679  1.0
  Br  Br21  1  0.005  0.546  0.821  1.0
  Br  Br22  1  0.495  0.454  0.821  1.0
  Br  Br23  1  0.495  0.046  0.679  1.0
[/CIF]
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The structure described by TlTlBr4 is Indium-like structured and crystallizes in the orthorhombic Pnna space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and four TlBr4 clusters. In each TlBr4 cluster, Tl(2) is bonded in a tetrahedral geometry to two equivalent Br(1) and two equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Tl(2) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Tl(2) atom. is represented by the CIF card [CIF]
data_TlBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.084
_cell_length_b   10.412
_cell_length_c   10.603
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   892.565
_cell_formula_units_Z   8
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  0.678  0.250  0.250  1.0
  Tl  Tl1  1  0.822  0.750  0.250  1.0
  Tl  Tl2  1  0.322  0.750  0.750  1.0
  Tl  Tl3  1  0.178  0.250  0.750  1.0
  Tl  Tl4  1  0.250  0.000  0.177  1.0
  Tl  Tl5  1  0.250  0.500  0.323  1.0
  Tl  Tl6  1  0.750  0.000  0.823  1.0
  Tl  Tl7  1  0.750  0.500  0.677  1.0
  Br  Br8  1  0.353  0.193  0.043  1.0
  Br  Br9  1  0.353  0.307  0.457  1.0
  Br  Br10  1  0.147  0.693  0.457  1.0
  Br  Br11  1  0.147  0.807  0.043  1.0
  Br  Br12  1  0.647  0.807  0.957  1.0
  Br  Br13  1  0.647  0.693  0.543  1.0
  Br  Br14  1  0.853  0.307  0.543  1.0
  Br  Br15  1  0.853  0.193  0.957  1.0
  Br  Br16  1  0.995  0.046  0.321  1.0
  Br  Br17  1  0.995  0.454  0.179  1.0
  Br  Br18  1  0.505  0.546  0.179  1.0
  Br  Br19  1  0.505  0.954  0.321  1.0
  Br  Br20  1  0.005  0.954  0.679  1.0
  Br  Br21  1  0.005  0.546  0.821  1.0
  Br  Br22  1  0.495  0.454  0.821  1.0
  Br  Br23  1  0.495  0.046  0.679  1.0
[/CIF]
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