The material structure described by TlF3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. Tl(1) is bonded in a 8-coordinate geometry to two equivalent F(2) and six equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Tl(1) atoms. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to three equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.800
_cell_length_b   5.933
_cell_length_c   7.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.543
_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  0.960  0.630  0.750  1.0
  Tl  Tl1  1  0.460  0.870  0.250  1.0
  Tl  Tl2  1  0.540  0.130  0.750  1.0
  Tl  Tl3  1  0.040  0.370  0.250  1.0
  F  F4  1  0.342  0.164  0.433  1.0
  F  F5  1  0.842  0.336  0.567  1.0
  F  F6  1  0.158  0.664  0.067  1.0
  F  F7  1  0.658  0.836  0.933  1.0
  F  F8  1  0.628  0.534  0.250  1.0
  F  F9  1  0.128  0.966  0.750  1.0
  F  F10  1  0.872  0.034  0.250  1.0
  F  F11  1  0.372  0.466  0.750  1.0
  F  F12  1  0.342  0.164  0.067  1.0
  F  F13  1  0.842  0.336  0.933  1.0
  F  F14  1  0.158  0.664  0.433  1.0
  F  F15  1  0.658  0.836  0.567  1.0
[/CIF]
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The material structure described by TlF3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. Tl(1) is bonded in a 8-coordinate geometry to two equivalent F(2) and six equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Tl(1) atoms. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to three equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.800
_cell_length_b   5.933
_cell_length_c   7.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.543
_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  0.960  0.630  0.750  1.0
  Tl  Tl1  1  0.460  0.870  0.250  1.0
  Tl  Tl2  1  0.540  0.130  0.750  1.0
  Tl  Tl3  1  0.040  0.370  0.250  1.0
  F  F4  1  0.342  0.164  0.433  1.0
  F  F5  1  0.842  0.336  0.567  1.0
  F  F6  1  0.158  0.664  0.067  1.0
  F  F7  1  0.658  0.836  0.933  1.0
  F  F8  1  0.628  0.534  0.250  1.0
  F  F9  1  0.128  0.966  0.750  1.0
  F  F10  1  0.872  0.034  0.250  1.0
  F  F11  1  0.372  0.466  0.750  1.0
  F  F12  1  0.342  0.164  0.067  1.0
  F  F13  1  0.842  0.336  0.933  1.0
  F  F14  1  0.158  0.664  0.433  1.0
  F  F15  1  0.658  0.836  0.567  1.0
[/CIF]
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