The material described by TlBr3 is Magnesium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tribromothallane molecules. Tl(1) is bonded in a trigonal planar geometry to one Br(1) and two equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a single-bond geometry to one Tl(1) atom. In the second Br site, Br(1) is bonded in a single-bond geometry to one Tl(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.715
_cell_length_b   10.567
_cell_length_c   13.466
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   955.486
_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  0.664  0.250  0.753  1.0
  Tl  Tl1  1  0.836  0.250  0.253  1.0
  Tl  Tl2  1  0.336  0.750  0.247  1.0
  Tl  Tl3  1  0.164  0.750  0.747  1.0
  Br  Br4  1  0.828  0.250  0.584  1.0
  Br  Br5  1  0.672  0.250  0.084  1.0
  Br  Br6  1  0.172  0.750  0.416  1.0
  Br  Br7  1  0.328  0.750  0.916  1.0
  Br  Br8  1  0.573  0.454  0.837  1.0
  Br  Br9  1  0.927  0.046  0.337  1.0
  Br  Br10  1  0.427  0.954  0.163  1.0
  Br  Br11  1  0.073  0.546  0.663  1.0
  Br  Br12  1  0.427  0.546  0.163  1.0
  Br  Br13  1  0.073  0.954  0.663  1.0
  Br  Br14  1  0.573  0.046  0.837  1.0
  Br  Br15  1  0.927  0.454  0.337  1.0
[/CIF]
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The material described by TlBr3 is Magnesium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tribromothallane molecules. Tl(1) is bonded in a trigonal planar geometry to one Br(1) and two equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a single-bond geometry to one Tl(1) atom. In the second Br site, Br(1) is bonded in a single-bond geometry to one Tl(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.715
_cell_length_b   10.567
_cell_length_c   13.466
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   955.486
_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  0.664  0.250  0.753  1.0
  Tl  Tl1  1  0.836  0.250  0.253  1.0
  Tl  Tl2  1  0.336  0.750  0.247  1.0
  Tl  Tl3  1  0.164  0.750  0.747  1.0
  Br  Br4  1  0.828  0.250  0.584  1.0
  Br  Br5  1  0.672  0.250  0.084  1.0
  Br  Br6  1  0.172  0.750  0.416  1.0
  Br  Br7  1  0.328  0.750  0.916  1.0
  Br  Br8  1  0.573  0.454  0.837  1.0
  Br  Br9  1  0.927  0.046  0.337  1.0
  Br  Br10  1  0.427  0.954  0.163  1.0
  Br  Br11  1  0.073  0.546  0.663  1.0
  Br  Br12  1  0.427  0.546  0.163  1.0
  Br  Br13  1  0.073  0.954  0.663  1.0
  Br  Br14  1  0.573  0.046  0.837  1.0
  Br  Br15  1  0.927  0.454  0.337  1.0
[/CIF]
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