The compound described by TlCl2NH2 crystallizes in the tetragonal I4_1/a space group. The structure consists of eight ammonia molecules inside a TlCl2 framework. In the TlCl2 framework, Tl(1) is bonded to six equivalent Cl(1) atoms to form distorted edge-sharing TlCl6 octahedra. Cl(1) is bonded in a 4-coordinate geometry to three equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_TlH2NCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.641
_cell_length_b   8.641
_cell_length_c   8.846
_cell_angle_alpha   119.236
_cell_angle_beta   119.236
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   477.665
_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  0.125  0.375  0.250  1.0
  Tl  Tl1  1  0.125  0.875  0.250  1.0
  Tl  Tl2  1  0.125  0.875  0.750  1.0
  Tl  Tl3  1  0.625  0.875  0.750  1.0
  H  H4  1  0.548  0.784  0.087  1.0
  H  H5  1  0.539  0.304  0.087  1.0
  H  H6  1  0.554  0.298  0.587  1.0
  H  H7  1  0.702  0.966  0.413  1.0
  H  H8  1  0.034  0.289  0.587  1.0
  H  H9  1  0.711  0.446  0.413  1.0
  H  H10  1  0.696  0.452  0.913  1.0
  H  H11  1  0.216  0.461  0.913  1.0
  N  N12  1  0.625  0.875  0.250  1.0
  N  N13  1  0.625  0.375  0.250  1.0
  N  N14  1  0.625  0.375  0.750  1.0
  N  N15  1  0.125  0.375  0.750  1.0
  Cl  Cl16  1  0.399  0.133  0.258  1.0
  Cl  Cl17  1  0.859  0.125  0.258  1.0
  Cl  Cl18  1  0.375  0.149  0.758  1.0
  Cl  Cl19  1  0.851  0.617  0.242  1.0
  Cl  Cl20  1  0.383  0.609  0.758  1.0
  Cl  Cl21  1  0.391  0.625  0.242  1.0
  Cl  Cl22  1  0.875  0.601  0.742  1.0
  Cl  Cl23  1  0.867  0.141  0.742  1.0
[/CIF]
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The compound described by TlCl2NH2 crystallizes in the tetragonal I4_1/a space group. The structure consists of eight ammonia molecules inside a TlCl2 framework. In the TlCl2 framework, Tl(1) is bonded to six equivalent Cl(1) atoms to form distorted edge-sharing TlCl6 octahedra. Cl(1) is bonded in a 4-coordinate geometry to three equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_TlH2NCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.641
_cell_length_b   8.641
_cell_length_c   8.846
_cell_angle_alpha   119.236
_cell_angle_beta   119.236
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   477.665
_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  0.125  0.375  0.250  1.0
  Tl  Tl1  1  0.125  0.875  0.250  1.0
  Tl  Tl2  1  0.125  0.875  0.750  1.0
  Tl  Tl3  1  0.625  0.875  0.750  1.0
  H  H4  1  0.548  0.784  0.087  1.0
  H  H5  1  0.539  0.304  0.087  1.0
  H  H6  1  0.554  0.298  0.587  1.0
  H  H7  1  0.702  0.966  0.413  1.0
  H  H8  1  0.034  0.289  0.587  1.0
  H  H9  1  0.711  0.446  0.413  1.0
  H  H10  1  0.696  0.452  0.913  1.0
  H  H11  1  0.216  0.461  0.913  1.0
  N  N12  1  0.625  0.875  0.250  1.0
  N  N13  1  0.625  0.375  0.250  1.0
  N  N14  1  0.625  0.375  0.750  1.0
  N  N15  1  0.125  0.375  0.750  1.0
  Cl  Cl16  1  0.399  0.133  0.258  1.0
  Cl  Cl17  1  0.859  0.125  0.258  1.0
  Cl  Cl18  1  0.375  0.149  0.758  1.0
  Cl  Cl19  1  0.851  0.617  0.242  1.0
  Cl  Cl20  1  0.383  0.609  0.758  1.0
  Cl  Cl21  1  0.391  0.625  0.242  1.0
  Cl  Cl22  1  0.875  0.601  0.742  1.0
  Cl  Cl23  1  0.867  0.141  0.742  1.0
[/CIF]
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