The compound described by HgTlF3 crystallizes in the triclinic P1 space group. Hg(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted corner-sharing HgF6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. Tl(1) is bonded in a 3-coordinate geometry to one F(1), one F(2), and one F(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Hg(1) and one Tl(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent Hg(1) and one Tl(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Hg(1) and one Tl(1) atom. is represented by the CIF card [CIF]
data_TlHgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.527
_cell_length_b   4.519
_cell_length_c   4.540
_cell_angle_alpha   89.718
_cell_angle_beta   88.131
_cell_angle_gamma   89.599
_symmetry_Int_Tables_number   1
_cell_volume   92.825
_cell_formula_units_Z   1
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  0.038  0.971  0.936  1.0
  Hg  Hg1  1  0.511  0.492  0.472  1.0
  F  F2  1  0.463  0.996  0.540  1.0
  F  F3  1  0.997  0.526  0.554  1.0
  F  F4  1  0.432  0.515  0.988  1.0
[/CIF]
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The compound described by HgTlF3 crystallizes in the triclinic P1 space group. Hg(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted corner-sharing HgF6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. Tl(1) is bonded in a 3-coordinate geometry to one F(1), one F(2), and one F(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Hg(1) and one Tl(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent Hg(1) and one Tl(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Hg(1) and one Tl(1) atom. is represented by the CIF card [CIF]
data_TlHgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.527
_cell_length_b   4.519
_cell_length_c   4.540
_cell_angle_alpha   89.718
_cell_angle_beta   88.131
_cell_angle_gamma   89.599
_symmetry_Int_Tables_number   1
_cell_volume   92.825
_cell_formula_units_Z   1
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  0.038  0.971  0.936  1.0
  Hg  Hg1  1  0.511  0.492  0.472  1.0
  F  F2  1  0.463  0.996  0.540  1.0
  F  F3  1  0.997  0.526  0.554  1.0
  F  F4  1  0.432  0.515  0.988  1.0
[/CIF]
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