The structure described by TlMnCl3 crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to one Cl(1), two equivalent Cl(2), and three equivalent Cl(3) atoms to form edge-sharing MnCl6 octahedra. Tl(1) is bonded in a 4-coordinate geometry to four 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 Mn(1) and four equivalent Tl(1) atoms. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Mn(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnTlCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.822
_cell_length_b   8.997
_cell_length_c   14.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   505.019
_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
  Mn  Mn0  1  0.750  0.837  0.946  1.0
  Mn  Mn1  1  0.250  0.163  0.054  1.0
  Mn  Mn2  1  0.250  0.663  0.446  1.0
  Mn  Mn3  1  0.750  0.337  0.554  1.0
  Tl  Tl4  1  0.750  0.557  0.176  1.0
  Tl  Tl5  1  0.250  0.443  0.824  1.0
  Tl  Tl6  1  0.250  0.943  0.676  1.0
  Tl  Tl7  1  0.750  0.057  0.324  1.0
  Cl  Cl8  1  0.250  0.275  0.205  1.0
  Cl  Cl9  1  0.750  0.823  0.504  1.0
  Cl  Cl10  1  0.750  0.479  0.401  1.0
  Cl  Cl11  1  0.750  0.979  0.099  1.0
  Cl  Cl12  1  0.750  0.323  0.996  1.0
  Cl  Cl13  1  0.250  0.021  0.901  1.0
  Cl  Cl14  1  0.750  0.225  0.705  1.0
  Cl  Cl15  1  0.250  0.521  0.599  1.0
  Cl  Cl16  1  0.250  0.177  0.496  1.0
  Cl  Cl17  1  0.250  0.775  0.295  1.0
  Cl  Cl18  1  0.250  0.677  0.004  1.0
  Cl  Cl19  1  0.750  0.725  0.795  1.0
[/CIF]
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The structure described by TlMnCl3 crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to one Cl(1), two equivalent Cl(2), and three equivalent Cl(3) atoms to form edge-sharing MnCl6 octahedra. Tl(1) is bonded in a 4-coordinate geometry to four 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 Mn(1) and four equivalent Tl(1) atoms. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Mn(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnTlCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.822
_cell_length_b   8.997
_cell_length_c   14.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   505.019
_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
  Mn  Mn0  1  0.750  0.837  0.946  1.0
  Mn  Mn1  1  0.250  0.163  0.054  1.0
  Mn  Mn2  1  0.250  0.663  0.446  1.0
  Mn  Mn3  1  0.750  0.337  0.554  1.0
  Tl  Tl4  1  0.750  0.557  0.176  1.0
  Tl  Tl5  1  0.250  0.443  0.824  1.0
  Tl  Tl6  1  0.250  0.943  0.676  1.0
  Tl  Tl7  1  0.750  0.057  0.324  1.0
  Cl  Cl8  1  0.250  0.275  0.205  1.0
  Cl  Cl9  1  0.750  0.823  0.504  1.0
  Cl  Cl10  1  0.750  0.479  0.401  1.0
  Cl  Cl11  1  0.750  0.979  0.099  1.0
  Cl  Cl12  1  0.750  0.323  0.996  1.0
  Cl  Cl13  1  0.250  0.021  0.901  1.0
  Cl  Cl14  1  0.750  0.225  0.705  1.0
  Cl  Cl15  1  0.250  0.521  0.599  1.0
  Cl  Cl16  1  0.250  0.177  0.496  1.0
  Cl  Cl17  1  0.250  0.775  0.295  1.0
  Cl  Cl18  1  0.250  0.677  0.004  1.0
  Cl  Cl19  1  0.750  0.725  0.795  1.0
[/CIF]
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