The material structure described by ThTlF5 crystallizes in the monoclinic P2_1/c space group. Th(1) is bonded in a 9-coordinate geometry to one F(3), two equivalent F(1), two equivalent F(2), two equivalent F(4), and two equivalent F(5) atoms. Tl(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(4), and two equivalent F(3) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Th(1) and one Tl(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Th(1) and one Tl(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Th(1) and two equivalent Tl(1) atoms. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Th(1) and one Tl(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent Th(1) atoms. is represented by the CIF file [CIF]
data_ThTlF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.195
_cell_length_b   8.056
_cell_length_c   8.948
_cell_angle_alpha   62.225
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   458.903
_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
  Th  Th0  1  0.656  0.415  0.362  1.0
  Th  Th1  1  0.844  0.415  0.862  1.0
  Th  Th2  1  0.344  0.585  0.638  1.0
  Th  Th3  1  0.156  0.585  0.138  1.0
  Tl  Tl4  1  0.629  0.924  0.847  1.0
  Tl  Tl5  1  0.871  0.924  0.347  1.0
  Tl  Tl6  1  0.371  0.076  0.153  1.0
  Tl  Tl7  1  0.129  0.076  0.653  1.0
  F  F8  1  0.480  0.658  0.141  1.0
  F  F9  1  0.020  0.658  0.641  1.0
  F  F10  1  0.520  0.342  0.859  1.0
  F  F11  1  0.980  0.342  0.359  1.0
  F  F12  1  0.579  0.666  0.427  1.0
  F  F13  1  0.921  0.666  0.927  1.0
  F  F14  1  0.421  0.334  0.573  1.0
  F  F15  1  0.079  0.334  0.073  1.0
  F  F16  1  0.684  0.103  0.498  1.0
  F  F17  1  0.816  0.103  0.998  1.0
  F  F18  1  0.316  0.897  0.502  1.0
  F  F19  1  0.184  0.897  0.002  1.0
  F  F20  1  0.361  0.327  0.287  1.0
  F  F21  1  0.139  0.327  0.787  1.0
  F  F22  1  0.639  0.673  0.713  1.0
  F  F23  1  0.861  0.673  0.213  1.0
  F  F24  1  0.796  0.363  0.625  1.0
  F  F25  1  0.704  0.363  0.125  1.0
  F  F26  1  0.204  0.637  0.375  1.0
  F  F27  1  0.296  0.637  0.875  1.0
[/CIF]
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The material structure described by ThTlF5 crystallizes in the monoclinic P2_1/c space group. Th(1) is bonded in a 9-coordinate geometry to one F(3), two equivalent F(1), two equivalent F(2), two equivalent F(4), and two equivalent F(5) atoms. Tl(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(4), and two equivalent F(3) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Th(1) and one Tl(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Th(1) and one Tl(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Th(1) and two equivalent Tl(1) atoms. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Th(1) and one Tl(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent Th(1) atoms. is represented by the CIF file [CIF]
data_ThTlF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.195
_cell_length_b   8.056
_cell_length_c   8.948
_cell_angle_alpha   62.225
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   458.903
_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
  Th  Th0  1  0.656  0.415  0.362  1.0
  Th  Th1  1  0.844  0.415  0.862  1.0
  Th  Th2  1  0.344  0.585  0.638  1.0
  Th  Th3  1  0.156  0.585  0.138  1.0
  Tl  Tl4  1  0.629  0.924  0.847  1.0
  Tl  Tl5  1  0.871  0.924  0.347  1.0
  Tl  Tl6  1  0.371  0.076  0.153  1.0
  Tl  Tl7  1  0.129  0.076  0.653  1.0
  F  F8  1  0.480  0.658  0.141  1.0
  F  F9  1  0.020  0.658  0.641  1.0
  F  F10  1  0.520  0.342  0.859  1.0
  F  F11  1  0.980  0.342  0.359  1.0
  F  F12  1  0.579  0.666  0.427  1.0
  F  F13  1  0.921  0.666  0.927  1.0
  F  F14  1  0.421  0.334  0.573  1.0
  F  F15  1  0.079  0.334  0.073  1.0
  F  F16  1  0.684  0.103  0.498  1.0
  F  F17  1  0.816  0.103  0.998  1.0
  F  F18  1  0.316  0.897  0.502  1.0
  F  F19  1  0.184  0.897  0.002  1.0
  F  F20  1  0.361  0.327  0.287  1.0
  F  F21  1  0.139  0.327  0.787  1.0
  F  F22  1  0.639  0.673  0.713  1.0
  F  F23  1  0.861  0.673  0.213  1.0
  F  F24  1  0.796  0.363  0.625  1.0
  F  F25  1  0.704  0.363  0.125  1.0
  F  F26  1  0.204  0.637  0.375  1.0
  F  F27  1  0.296  0.637  0.875  1.0
[/CIF]
.