The compound described by RbTlF3 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(4), and two equivalent F(5) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(3) atoms. Tl(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form corner-sharing TlF6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. There are five inequivalent F sites. In the first F site, F(4) is bonded in a distorted see-saw-like geometry to two equivalent Rb(1) and two equivalent Tl(1) atoms. In the second F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Tl(1) atoms. In the third F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Rb(1) and two equivalent Tl(1) atoms. In the fourth F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Rb(2) and two equivalent Tl(1) atoms. In the fifth F site, F(3) is bonded to two equivalent Rb(2) and two equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing FRb2Tl2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbTlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.644
_cell_length_b   9.294
_cell_length_c   13.384
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   826.434
_cell_formula_units_Z   8
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
  Rb  Rb0  1  0.245  0.000  0.882  1.0
  Rb  Rb1  1  0.745  0.000  0.618  1.0
  Rb  Rb2  1  0.755  0.000  0.118  1.0
  Rb  Rb3  1  0.255  0.000  0.382  1.0
  Rb  Rb4  1  0.222  0.500  0.869  1.0
  Rb  Rb5  1  0.722  0.500  0.631  1.0
  Rb  Rb6  1  0.778  0.500  0.131  1.0
  Rb  Rb7  1  0.278  0.500  0.369  1.0
  Tl  Tl8  1  0.743  0.250  0.875  1.0
  Tl  Tl9  1  0.243  0.750  0.625  1.0
  Tl  Tl10  1  0.257  0.250  0.125  1.0
  Tl  Tl11  1  0.757  0.750  0.375  1.0
  Tl  Tl12  1  0.257  0.750  0.125  1.0
  Tl  Tl13  1  0.757  0.250  0.375  1.0
  Tl  Tl14  1  0.743  0.750  0.875  1.0
  Tl  Tl15  1  0.243  0.250  0.625  1.0
  F  F16  1  0.755  0.000  0.833  1.0
  F  F17  1  0.255  0.000  0.667  1.0
  F  F18  1  0.245  0.000  0.167  1.0
  F  F19  1  0.745  0.000  0.333  1.0
  F  F20  1  0.754  0.500  0.916  1.0
  F  F21  1  0.254  0.500  0.584  1.0
  F  F22  1  0.246  0.500  0.084  1.0
  F  F23  1  0.746  0.500  0.416  1.0
  F  F24  1  0.977  0.299  0.742  1.0
  F  F25  1  0.477  0.701  0.758  1.0
  F  F26  1  0.023  0.299  0.258  1.0
  F  F27  1  0.523  0.701  0.242  1.0
  F  F28  1  0.023  0.701  0.258  1.0
  F  F29  1  0.523  0.299  0.242  1.0
  F  F30  1  0.977  0.701  0.742  1.0
  F  F31  1  0.477  0.299  0.758  1.0
  F  F32  1  0.000  0.194  0.500  1.0
  F  F33  1  0.500  0.806  0.000  1.0
  F  F34  1  0.000  0.806  0.500  1.0
  F  F35  1  0.500  0.194  0.000  1.0
  F  F36  1  0.000  0.210  0.000  1.0
  F  F37  1  0.500  0.790  0.500  1.0
  F  F38  1  0.000  0.790  0.000  1.0
  F  F39  1  0.500  0.210  0.500  1.0
[/CIF]
.
The compound described by RbTlF3 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(4), and two equivalent F(5) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(3) atoms. Tl(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form corner-sharing TlF6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. There are five inequivalent F sites. In the first F site, F(4) is bonded in a distorted see-saw-like geometry to two equivalent Rb(1) and two equivalent Tl(1) atoms. In the second F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Tl(1) atoms. In the third F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Rb(1) and two equivalent Tl(1) atoms. In the fourth F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Rb(2) and two equivalent Tl(1) atoms. In the fifth F site, F(3) is bonded to two equivalent Rb(2) and two equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing FRb2Tl2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbTlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.644
_cell_length_b   9.294
_cell_length_c   13.384
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   826.434
_cell_formula_units_Z   8
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
  Rb  Rb0  1  0.245  0.000  0.882  1.0
  Rb  Rb1  1  0.745  0.000  0.618  1.0
  Rb  Rb2  1  0.755  0.000  0.118  1.0
  Rb  Rb3  1  0.255  0.000  0.382  1.0
  Rb  Rb4  1  0.222  0.500  0.869  1.0
  Rb  Rb5  1  0.722  0.500  0.631  1.0
  Rb  Rb6  1  0.778  0.500  0.131  1.0
  Rb  Rb7  1  0.278  0.500  0.369  1.0
  Tl  Tl8  1  0.743  0.250  0.875  1.0
  Tl  Tl9  1  0.243  0.750  0.625  1.0
  Tl  Tl10  1  0.257  0.250  0.125  1.0
  Tl  Tl11  1  0.757  0.750  0.375  1.0
  Tl  Tl12  1  0.257  0.750  0.125  1.0
  Tl  Tl13  1  0.757  0.250  0.375  1.0
  Tl  Tl14  1  0.743  0.750  0.875  1.0
  Tl  Tl15  1  0.243  0.250  0.625  1.0
  F  F16  1  0.755  0.000  0.833  1.0
  F  F17  1  0.255  0.000  0.667  1.0
  F  F18  1  0.245  0.000  0.167  1.0
  F  F19  1  0.745  0.000  0.333  1.0
  F  F20  1  0.754  0.500  0.916  1.0
  F  F21  1  0.254  0.500  0.584  1.0
  F  F22  1  0.246  0.500  0.084  1.0
  F  F23  1  0.746  0.500  0.416  1.0
  F  F24  1  0.977  0.299  0.742  1.0
  F  F25  1  0.477  0.701  0.758  1.0
  F  F26  1  0.023  0.299  0.258  1.0
  F  F27  1  0.523  0.701  0.242  1.0
  F  F28  1  0.023  0.701  0.258  1.0
  F  F29  1  0.523  0.299  0.242  1.0
  F  F30  1  0.977  0.701  0.742  1.0
  F  F31  1  0.477  0.299  0.758  1.0
  F  F32  1  0.000  0.194  0.500  1.0
  F  F33  1  0.500  0.806  0.000  1.0
  F  F34  1  0.000  0.806  0.500  1.0
  F  F35  1  0.500  0.194  0.000  1.0
  F  F36  1  0.000  0.210  0.000  1.0
  F  F37  1  0.500  0.790  0.500  1.0
  F  F38  1  0.000  0.790  0.000  1.0
  F  F39  1  0.500  0.210  0.500  1.0
[/CIF]
.