The structure described by RbTlF4 crystallizes in the orthorhombic Pbcm space group. Rb(1) is bonded in a 9-coordinate geometry to one F(3), two equivalent F(2), and six equivalent F(1) atoms. Tl(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing TlF6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to three equivalent Rb(1) and one Tl(1) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Tl(1) atoms. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Rb(1) and two equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_RbTlF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.222
_cell_length_b   8.293
_cell_length_c   8.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.770
_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
  Rb  Rb0  1  0.484  0.190  0.750  1.0
  Rb  Rb1  1  0.516  0.810  0.250  1.0
  Rb  Rb2  1  0.516  0.690  0.750  1.0
  Rb  Rb3  1  0.484  0.310  0.250  1.0
  Tl  Tl4  1  0.000  0.000  0.000  1.0
  Tl  Tl5  1  0.000  0.000  0.500  1.0
  Tl  Tl6  1  0.000  0.500  0.000  1.0
  Tl  Tl7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.697  0.423  0.567  1.0
  F  F9  1  0.303  0.577  0.067  1.0
  F  F10  1  0.303  0.923  0.567  1.0
  F  F11  1  0.697  0.077  0.067  1.0
  F  F12  1  0.303  0.577  0.433  1.0
  F  F13  1  0.697  0.423  0.933  1.0
  F  F14  1  0.697  0.077  0.433  1.0
  F  F15  1  0.303  0.923  0.933  1.0
  F  F16  1  0.141  0.250  0.000  1.0
  F  F17  1  0.859  0.750  0.500  1.0
  F  F18  1  0.859  0.750  0.000  1.0
  F  F19  1  0.141  0.250  0.500  1.0
  F  F20  1  0.886  0.025  0.750  1.0
  F  F21  1  0.114  0.975  0.250  1.0
  F  F22  1  0.114  0.525  0.750  1.0
  F  F23  1  0.886  0.475  0.250  1.0
[/CIF]
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The structure described by RbTlF4 crystallizes in the orthorhombic Pbcm space group. Rb(1) is bonded in a 9-coordinate geometry to one F(3), two equivalent F(2), and six equivalent F(1) atoms. Tl(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing TlF6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to three equivalent Rb(1) and one Tl(1) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Tl(1) atoms. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Rb(1) and two equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_RbTlF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.222
_cell_length_b   8.293
_cell_length_c   8.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.770
_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
  Rb  Rb0  1  0.484  0.190  0.750  1.0
  Rb  Rb1  1  0.516  0.810  0.250  1.0
  Rb  Rb2  1  0.516  0.690  0.750  1.0
  Rb  Rb3  1  0.484  0.310  0.250  1.0
  Tl  Tl4  1  0.000  0.000  0.000  1.0
  Tl  Tl5  1  0.000  0.000  0.500  1.0
  Tl  Tl6  1  0.000  0.500  0.000  1.0
  Tl  Tl7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.697  0.423  0.567  1.0
  F  F9  1  0.303  0.577  0.067  1.0
  F  F10  1  0.303  0.923  0.567  1.0
  F  F11  1  0.697  0.077  0.067  1.0
  F  F12  1  0.303  0.577  0.433  1.0
  F  F13  1  0.697  0.423  0.933  1.0
  F  F14  1  0.697  0.077  0.433  1.0
  F  F15  1  0.303  0.923  0.933  1.0
  F  F16  1  0.141  0.250  0.000  1.0
  F  F17  1  0.859  0.750  0.500  1.0
  F  F18  1  0.859  0.750  0.000  1.0
  F  F19  1  0.141  0.250  0.500  1.0
  F  F20  1  0.886  0.025  0.750  1.0
  F  F21  1  0.114  0.975  0.250  1.0
  F  F22  1  0.114  0.525  0.750  1.0
  F  F23  1  0.886  0.475  0.250  1.0
[/CIF]
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